Contact Info
Adam P. Hitchcock
Canada Research Chair
in Materials Research
CLS-CCRS
B.I.M.R
McMaster University
Hamilton, ON
Canada L8S 4M1
V: +1 905 525-9140
    x24729
F: +1 905 521-2773
E: aph@mcmaster.ca
U: unicorn.mcmaster.ca
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Gas Phase Core Excitation Database

 

generated 18-May-2025 (testing)       file: cedb-index-flat.html

Name Formula alpha-formula edge filename Ref. Code Reference  
Hexaphenyldisilane (C6H5)6Si2 C36H30Si2 C1s a1-0cckk.os HH13 Hitchcock (unpublished)  
Hexaphenyldisilane (C6H5)6Si2 C36H30Si2 C1s a1-0sill.os HH13 Hitchcock (unpublished)  
Hexaphenyldisilane (C6H5)6Si2 C36H30Si2 C1s a1-1cckk.os HH13 Hitchcock (unpublished)  
Hexaphenyldisilane (C6H5)6Si2 C36H30Si2 Si 2p a1-1sill.os HH13 Hitchcock (unpublished)  
triphenyl silanol Ph3SiOH C18H16OSi C 1s a2-0cckk.os UT+97 Organometallics 16 (1997) 2080.  
triphenyl silanol Ph3SiOH C18H16OSi O 1s a2-0ookk.os Ut+97 Organometallics 16 (1997) 2080.  
triphenyl silanol Ph3SiOH C18H16OSi Si 2p a2-0sill.os Ut+97 Organometallics 16 (1997) 2080.  
Boron B (atomic) B B 1s aaa-bbkk.os SF Optical grapher  
Carbon C (atomic) C C 1s aaa-cckk.os SF Optical grapher  
Chlorine Cl (atomic) Cl Cl 2p 2s aaa-clll.os SF Optical grapher  
Cobalt C (atomic) Co Co 2p 2s aaa-coll.os SF Optical grapher  
Iron Fe (atomic) Fe Fe 2p 2s aaa-fell.os SF Optical grapher  
Fluorine F (atomic) F F 1s aaa-ffkk.os SF Optical grapher  
Manganese Mn (atomic) Mn Mn 2p 2s aaa-mnll.os SF Optical grapher  
Neon Ne (atomic) Ne Ne 1s aaa-nell.os SF Optical grapher  
Nitrogen N (atomic) N N 1s aaa-nnkk.os SF Optical grapher  
Oxygen O (atomic) O O 1s aaa-ookk.os SF Optical grapher  
Selenium Se (atomic) Se Se 3d 3p 3s aaa-semm.os SF Optical grapher  
Silicon Si (atomic) Si Si 2p 2s aaa-sill.os SF Optical grapher  
Sulfur S (atomic) S S 2p 2s aaa-ssll.os SF Optical grapher  
titanium Ti (atomic) Ti Ti 2p 2s aaa-till.os SF Optical grapher  
Air (background) N2 (air) N2 N 1s ab-0nnkk.os UP    
Air (background) N2 & O2 (air) N2 N 1s & O 1s ab-0nokk.os UP    
Air (background) O2 (air) O2 O 1s ab-0ookk.os UP    
Acrylic acid CH2=CH-CO2H C3H4O2 C 1s ac-0cckk.os IH88 J. El. Spec. 46 (88) 55.  
Acrylic acid CH2=CH-CO2H C3H4O2 O 1s ac-0ookk.os IH88 J. El. Spec. 46 (88) 55.  
Perfluoroadamantine C10F16 C10F16 C 1s ad-0cckk.os HI88a Hitchcock (unpublished)  
Perfluoroadamantine C10F16 C10F16 F 1s ad-0ffkk.os HI88a Hitchcock (unpublished)  
Acetylene C2H2 C2H2 C 1s ae-0cckk.os HB77 J.El.Spec. 10 (77) 317.  
Trifluoroacetic acid CF3C00H C2F3HO2 C 1s af-0cckk.os RI&88 J. El. Spec. 47 (88) 53.  
Trifluoroacetic acid CF3C00H C2F3HO2 F 1s af-0ffkk.os RI&88 J. El. Spec. 47 (88) 53.  
Trifluoroacetic acid CF3C00H C2F3HO2 O 1s af-0ookk.os RI&88 J. El. Spec. 47 (88) 53.  
alanine CH3CH(NH2)(COOH) CH7NO2 C1s AH-0CCKK.OS GH01    
alanine CH3CH(NH2)(COOH) CH7NO2 N1s AH-0NNKK.OS GH01    
alanine CH3CH(NH2)(COOH) CH7NO2 01s AH-0OOKK.OS GH01    
alanine CH3CH(NH2)(COOH) CH7NO2 C1s ah-1cckk.os CG04 J. El. Spec. 137-140 (2004) 795  
Acetic acid CH3COOH C2H4O2 C 1s ai-0cckk.os RI&88 J. El. Spec. 47 (88) 53.  
Acetic acid CH3COOH C2H4O2 O 1s ai-0ookk.os RI&88 J. El. Spec. 47 (88) 53.  
Allylic alcohol H2CCHCH2OH C3H6O C 1s al-0cckk.os IH88 J. El. Spec. 46 (88) 55.  
Allylic alcohol H2CCHCH2OH C3H6O O 1s al-0ookk.os IH88 J. El. Spec. 46 (88) 55.  
Adamantine C10H16 C10H16 C 1s am-0cckk.os HI88a Hitchcock (unpublished)  
Acetonitrile CH2CN C2H3N C 1s an-0cckk.os HTM89 J. Phys. Chem. 93 (89) 3068.  
Acetonitrile CH2CN C2H3N N 1s an-0nnkk.os HTM89 J. Phys. Chem. 93 (89) 3068.  
Phenylalanine Ph-CH(CO2H)(NH2) C8H9NO2 C1s AP-0CCKK.OS GH01    
Phenylalanine Ph-CH(CO2H)(NH2) C8H9NO2 N1s AP-ONNKK.OS GH01    
Phenylalanine Ph-CH(CO2H)(NH2) C8H9NO2 O1s AP-0OOKK.OS GH01    
Phenylacetaldehyde (C6H5)CH2CHO C8H8O C1s aq-0cckk.os HH13 Hitchcock (unpublished)  
Phenylacetaldehyde (C6H5)CH2CHO C8H8O O1s aq-0ookk.os HH13 Hitchcock (unpublished)  
Acetone (CH3)2CO C3H6O C1s AT-0CCKK.OS RI&88    
Acetone (CH3)2CO C3H6O 01s AT-0OOKK.OS RI&88    
Acetone (CH3)2CO C3H6O C1s at-1cckk.os HH13 Hitchcock (unpublished)  
NN-dimethylaniline C6H5N(CH3)2 C8H11N C 1s ax-0cckk.os HUR93 Hitchcock (unpublished)  
NN-dimethylaniline C6H5N(CH3)2 C8H11N N 1s ax-0nnkk.os HUR93 Hitchcock (unpublished).  
Aniline C6H5NH2 C6H7N C 1s ay-0cckk.os TUH96 Can. J. Chem. 74 (1996) 851.  
Aniline C6H5NH2 C6H7N N 1s ay-0nnkk.os TUH96 Can. J. Chem. 74 (1996) 851.  
Azulene C10H8 C10H8 C 1s az-0cckk.os HT&89 J. Phys. Chem. 93 (89) 7624.  
n-Butane C4H10 C4H10 C 1s ba-0cckk.os HI87 J. El Spec. 42 (87) 11.  
m-carborane B9C2H11 B10C2H12 B 1s bc-0bbkk.os HU+96 J. Phys. Chem. B. 101 (1996) 3483.  
m-carborane B9C2H11 B10C2H12 C 1s bc-0cckk.os HU+96 J. Phys. Chem. B. 101 (1996) 3483.  
Butyl acrylate H2C=CHCO2(CH2)3CH3 C7H12O2 C 1s be-0cckk.os LUH97 unpublished  
Butyl acrylate H2C=CHCO2(CH2)3CH3 C7H12O2 O 1s be-0ookk.os LUH97 unpublished  
borontrifluoride BF3 BF3 B 1s bf-0bbkk.os EA&91 Vac. Sci. Tech A 9 (91) 1663.  
borontrifluoride BF3 BF3 F 1s bf-0ffkk.os EA&91 Vac. Sci. Tech A 9 (91) 1663.  
Ortho-carborane B10C2H12 B10C2H12 B 1s bg-0bbkk.os HW&93 J. Phys. Chem. 97 (1993) 8171.  
Ortho-carborane B10C2H12 B10C2H12 C 1s bg-0cckk.os HW&93 J. Phys. Chem. 97 (1993) 8171.  
Diethylcarborane B4H4C2(Et)2 B4C6H14 B 1s bh-0bbkk.os HW&93 J. Phys. Chem. 97 (1993) 8171.  
Diethylcarborane B4H4C2(Et)2 B4C6H14 C 1s bh-0cckk.os HW&93 J. Phys. Chem. 97 (1993) 8171.  
Iron-phosphaborane Cp(CO)2FeB5H2PBz2 B5C17FeH22O2 B 1s bi-0bbkk.os HLD91 unpublished  
Iron-phosphaborane Cp(CO)2FeB5H2PBz2 B5C17FeH22O2 C 1s bi-0cckk.os HLD91 unpublished  
Iron-phosphaborane Cp(CO)2FeB5H2PBz2 B5C17FeH22O2 Fe 2p bi-0fell.os HLD91 unpublished  
Decaborane B10H14 B10H14 B 1s bj-0bbkk.os HW&93 J. Phys. Chem. 97 (1993) 8171.  
Pentaborane B5H9 B5H9 B 1s bk-0bbkk.os HW&93 J. Phys. Chem. 97 (1993) 8171.  
S-naphthalene C6H4N2S2 C6H4N2S2 C 1s bl-0cckk.os HD&91 J. El. Spec. 57 (91) 165.  
S-naphthalene C6H4N2S2 C6H4N2S2 N 1s bl-0nnkk.os HD&91 J. El. Spec. 57 (91) 165.  
S-naphthalene C6H4N2S2 C6H4N2S2 S 2p 2s bl-0sskk.os HD&91 J. El. Spec. 57 (91) 165.  
Diphenyl-phosphaborane Bz2PB5H8 B5C12H18P B 1s bm-0bbkk.os HLD91 unpublished.  
Diphenyl-phosphaborane Bz2PB5H8 B5C12H18P C 1s bm-0cckk.os HLD91 unpublished.  
Benzaldehyde C6H5CHO C7H6O C 1s bn-0cckk.os HUR92 J. Phys. Chem. 96 (92) 8736  
Benzaldehyde C6H5CHO C7H6O O 1s bn-0ookk.os HUR92 J. Phys. Chem. 96 (92) 8736.  
Borazine B3N3H6 B3H6N3 B 1s bo-0bbkk.os DG&86 Am. Chem. Soc. 108 (86) 3602.  
Borazine B3N3H6 B3H6N3 N 1s bo-0nnkk.os DG&86 Am. Chem. Soc. 108 (86) 3602.  
Bis(t-Butyl)peroxide ((CH3)3CO)2 C8H18O2 C 1s bp-0cckk.os MI&87 J.Chem.Phys. 87 (87) 4344  
Bis(t-Butyl)peroxide ((CH3)3CO)2 C8H18O2 O 1s bp-0ookk.os MI&87 J.Chem.Phys. 87 (87) 4344  
Benzonitrile C6H5CN C7H5N C 1s bq-0cckk.os H92a Hitchcock (unpublished)  
Benzonitrile C6H5CN C7H5N N 1s bq-0nnkk.os H92a Hitchcock (unpublished)  
perfluoro biphenyl C12F10 C12F10 C 1s br-0cckk.os XX25 UP  
perfluoro biphenyl C12F10 C12F10 F 1s br-0ffkk.os XX25 UP  
biphenyl C12H10 C12H10 C 1s bs-0cckk.os XX25 Hitchcock (unpublished)  
Butadiene CH2=CHCH=CH2 C4H8 C 1s bt-0cckk.os MC&87 Phys. Rev. A 36 (87) 1683  
Biuret C2H5N3O2 C2H5N3O2 1s BU-0CCKK.OS LCH03    
Biuret C2H5N3O2 C2H5N3O2 1s BU-0NNKK.OS LCH03    
13524-benzotrithiadiazepine C6H4S3N2 C6H4N2S3 C 1s bv-0cckk.os HD&91 J. El. Spec. 57 (91) 165.  
13524-benzotrithiadiazepine C6H4S3N2 C6H4N2S3 N 1s bv-0nnkk.os HD&91 J. El. Spec. 57 (91) 165.  
13524-benzotrithiadiazepine C6H4S3N2 C6H4N2S3 S 2p 2s bv-0sskk.os HD&91 J. El. Spec. 57 (91) 165.  
213-benzotrithiadiazole C6H4SN2 C6H4N2S C 1s bw-0cckk.os HD&91 J. El. Spec. 57 (91) 165.  
213-benzotrithiadiazole C6H4SN2 C6H4N2S N 1s bw-0nnkk.os HD&91 J. El. Spec. 57 (91) 165.  
213-benzotrithiadiazole C6H4SN2 C6H4N2S S 2p 2s bw-0sskk.os HD&91 J. El. Spec. 57 (91) 165.  
2-Butyne CH3C:::CCH3 C4H6 C 1s by-0cckk.os RI&88 J. El. Spec. 47 (88) 53.  
Benzene C6H6 C6H6 C 1s bz-0cckk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Benzenechromium tricarbonyl BzCr(CO)3 C9CrH6O3 C 1s ca-0cckk.os WHR92 unpublished.  
Benzenechromium tricarbonyl BzCr(CO)3 C9CrH6O3 O 1s ca-0ookk.os WHR92 unpublished.  
Cyclobutane c-C4H8 C4H8 C 1s cb-0cckk.os HN&86 J. Chem. Phys. 85 (86) 4849.  
Dicobaltoctacarbonyl Co2(CO)8 C8Co2O8 C 1s cc-0cckk.os RWH91 J. El. Spec. 57 (91) 137  
Dicobaltoctacarbonyl Co2(CO)8 C8Co2O8 Co 2p cc-0col3.os RWH91 J. El. Spec. 57 (91) 137  
Dicobaltoctacarbonyl Co2(CO)8 C8Co2O8 O 1s cc-0ookk.os RWH91 J. El. Spec. 57 (91) 137  
Carbon dioxide CO2 CO2 C 1s cd-0cckk.os MC&87 Phys. Rev. A 36 (87) 1683.  
Carbon dioxide CO2 CO2 O 1s cd-0ookk.os MC&87 Phys. Rev. A 36 (87) 1683.  
12-dichloroethane CH2Cl-CH2Cl C2Cl2H4 C 1s ce-0cckk.os H92a Hitchcock (unpublished)  
12-dichloroethane CH2Cl-CH2Cl C2Cl2H4 Cl 2p ce-0cll3.os H92a Hitchcock (unpublished)  
Carbonyl Fluoride CF2O CF2O C 1s cf-0cckk.os RI&88 J. El. Spec. 47 (88) 53.  
Carbonyl Fluoride CF2O CF2O F 1s cf-0ffkk.os RI&88 J. El. Spec. 47 (88) 53.  
Carbonyl Fluoride CF2O CF2O O 1s cf-0ookk.os RI&88 J. El. Spec. 47 (88) 53.  
Cyclohexene c-C6H8 C6H8 C 1s ch-0cckk.os HR89 H91 Physica B 158 (89) 403.  
cis-12-difluoroethene C2F2H2 C2F2H2 C 1s ci-0cckk.os MC&87 Phys. Rev. A 36 (87) 1683  
cis-12-difluoroethene C2F2H2 C2F2H2 F 1s ci-0ffkk.os MC&87 Phys. Rev. A 36 (87) 1683  
dichloro-difluoro-methane CCl2F2 CCl2F2 C 1s cj-0cckk.os H14 Patel & Hitchcock (unpublished)  
dichloro-difluoro-methane CCl2F2 CCl2F2 Cl 2p 2s C 1s cj-0clcc.os H14 Patel & Hitchcock (unpublished)  
dichloro-difluoro-methane CCl2F2 CCl2F2 Cl 2p 2s cj-0clll.os H14 Patel & Hitchcock (unpublished)  
dichloro-difluoro-methane CCl2F2 CCl2F2 F 1s cj-0ffkk.os H14 Patel & Hitchcock (unpublished)  
11-difluoro-ethane CH3CF2H C2F2H4 C 1s ck-0cckk.os 19 Hitchcock (unpublished)  
11-difluoro-ethane CH3CF2H C2F2H4 F 1s ck-0ffkk.os 19 Hitchcock (unpublished)  
Cyclopentadienylcobalt dicarbonyl CpCo(CO)2 C7CoH5O2 C 1s cm-0cckk.os RWH91 J. El. Spec. 57 (91) 137.  
Cyclopentadienylcobalt dicarbonyl CpCo(CO)2 C7CoH5O2 Co 2p cm-0col3.os RWH91 J. El. Spec. 57 (91) 137.  
Cyclopentadienylcobalt dicarbonyl CpCo(CO)2 C7CoH5O2 O 1s cm-0ookk.os RWH91 J. El. Spec. 57 (91) 137.  
Carbonmonoxide CO CO C 1s co-0cckk.os HB80a J. El. Spec.18 (80) 1.  
Carbonmonoxide CO CO O 1s co-0ookk.os HB80a J. El. Spec.18 (80) 1.  
Cyclopropane c-C3H6 C3H6 C 1s cp-0cckk.os HN&86 J. Chem. Phys. 85 (86) 4849.  
Carbondisulphide CS2 CS2 C 1s cs-0cckk.os MH&89 Hitchcock (unpublished)  
Carbondisulphide CS2 CS2 S 2p cs-0ssl3.os MH&89 Hitchcock (unpublished)  
Toluenechromiumtricarbonyl CH3-C6H5-Cr(CO)3 C10CrH8O3 C 1s ct-0cckk.os WRH89 unpublished.  
Chromocene Cr(Cp)2 C10CrH10 C 1s cx-0cckk.os HWR89 unpublished.  
Cobaltacene Co(Cp)2 C10CoH10 C 1s cy-0cckk.os HN&86 J. Chem. Phys. 85 (86) 4849.  
Cobaltacene Co(Cp)2 C10CoH10 Co 2p cy-0col3.os HN&86 J. Chem. Phys. 85 (86) 4849.  
bis-benzenechromium Cr(Bz)2 C12CrH12 C 1s cz-0cckk.os WHR92 unpublished.  
Decylalcohol C10H21OH C10H22O C 1s da-0cckk.os HI88a Hitchcock (unpublished)  
t-butyl-ferrocene (C5H5)Fe(C5H4-C(CH3)3) C14FeH18 C 1s dc-0cckk.os WRH92 Organometallics 11 (92) 2559.  
t-butyl-ferrocene (C5H5)Fe(C5H4-C(CH3)3) C14FeH18 Fe 2p dc-0fel3.os WRH92 Organometallics 11 (92) 2559.  
Diethylether (C2H5)2O C4H10O C 1s de-0cckk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
Diethylether (C2H5)2O C4H10O O 1s de-0ookk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
Difluorobenzene c-C6H4F2 C6F2H4 C 1s df-0cckk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Difluorobenzene c-C6H4F2 C6F2H4 F 1s df-0ffkk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Dicyanoimidazole C3N2H2(CN)2 C5H2N4 C 1s di-0cckk.os AHG93 J. Phys. Chem. 97 (1993) 6859.  
Dicyanoimidazole C3N2H2(CN)2 C5H2N4 N 1s di-0nnkk.os AHG93 J. Phys. Chem. 97 (1993) 6859.  
22-dimethylpropane C(CH3)4 C5H12 C 1s dm-0cckk.os HI87 J. El Spec. 42 (87) 11.  
Diazadiene C10N2H18 C10H20N2 C 1s dn-0cckk.os LU+99 Organometallics 18 (1999) 1862  
Diazadiene C10N2H18 C10H20N2 N 1s dn-0nnkk.os LU+99 Organometallics 18 (1999) 1862  
Dihydropyran c-C5H8O C5H8O C 1s dp-0cckk.os NIH86 Can. J. Chem. 64 (86) 1145.  
Dihydropyran c-C5H8O C5H8O O 1s dp-0ookk.os NIH86 Can. J. Chem. 64 (86) 1145.  
dimethyl sulfoxide (DMSO) (CH3)2SO C2H6OS all ds-0aakk.os H15 Hitchcock (unpublished)  
dimethyl sulfoxide (DMSO) (CH3)2SO C2H6OS C 1s ds-0cckk.os H15 Hitchcock (unpublished)  
dimethyl sulfoxide (DMSO) (CH3)2SO C2H6OS C 1s ds-0ookk.os H15 Hitchcock (unpublished)  
dimethyl sulfoxide (DMSO) (CH3)2SO C2H6OS C 1s ds-0ssl1.os H15 Hitchcock (unpublished)  
dimethyl sulfoxide (DMSO) (CH3)2SO C2H6OS C 1s ds-0ssl3.os H15 Hitchcock (unpublished)  
Dimethyl-terephthalate CH3O-CO-C6H4-COOCH3 C10H10O4 C 1s dt-0cckk.os UH&95b J. Pol. Sci. B Pol. Phys. 33 (1995) 1603.  
Dimethyl-terephthalate CH3O-CO-C6H4-COOCH3 C10H10O4 O 1s dt-0ookk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
Ethanol CH3CH2OH C2H6O C 1s ea-0cckk.os H92a Hitchcock (unpublished)  
Ethanol CH3CH2OH C2H6O O 1s ea-0ookk.os H92a Hitchcock (unpublished)  
Ethylbenzoate C2H5O-CO-C6H5 C9H10O2 C 1s eb-0cckk.os HUR92 J. Phys. Chem. 96 (92) 8736.  
Ethylbenzoate C2H5O-CO-C6H5 C9H10O2 O 1s eb-0ookk.os HUR92 J. Phys. Chem. 96 (92) 8736.  
Trichloroethylene CCl2=CHCl C2Cl3H C 1s ec-0cckk.os WH90 Hitchcock (unpublished)  
Trichloroethylene CCl2=CHCl C2Cl3H Cl 2p ec-0cll3.os WH90 Hitchcock (unpublished)  
Chloro-trifluoro-ethylene CF2=CFCl C2ClF3 Cl 2p ed-0clll.os H13 Hitchcock (unpublished)  
111-trifluoro-ethane CF3CH3 C2F3H3 C 1s ef-0cckk.os RI&88 H90 J.El.Spec. 47 (88) 53; Phys. Scripta T31 (90) 159.  
111-trifluoro-ethane CF3CH3 C2F3H3 F 1s ef-0ffkk.os RI&88 H90 J.El.Spec. 47 (88) 53; Phys. Scripta T31 (90) 159.  
ethylene glycol OH-CH2CH2-OH C2H6O2 C 1s EG-0CCKK.OS EU&98    
ethylene glycol OH-CH2CH2-OH C2H6O2 O 1s EG-0OOKK.OS EU&98    
Ethylene C2H4 C2H4 C 1s eh-0cckk.os MC&87 Phys. Rev. A 36 (87) 1683.  
Ethyl allophanate NH2CONHCOOC2H5 C4H8N2O3 C 1s EP-0CCKK.OS UH&99    
Ethyl allophanate NH2CONHCOOC2H5 C4H8N2O3 N 1s EP-0NNKK.OS UH&99    
Ethyl allophanate NH2CONHCOOC2H5 C4H8N2O3 O 1s EP-0OOKK.OS UH&99    
Ethane C2H6 C2H6 C 1s et-0cckk.os IM&88 Can. J. Chem. 66 (88) 2104  
Formic acid HCOOH CH2O2 C 1s fa-0cckk.os IH87 J. Chem. Phys. 87 (87) 830.  
Formic acid HCOOH CH2O2 O 1s fa-0ookk.os IH87 J. Chem. Phys. 87 (87) 830.  
13-hexafluorobutadiene CF2CF=CFCF2 C4F6 C 1s fb-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
13- Hexafluorobutadiene CF2CF=CFCF2 C4F6 F 1s fb-0ffkk.os RI&88 J. El. Spec. 47 (88) 53  
per-Fluoro-Cyclobutane c-C4F8 C4F8 C 1s fc-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
per-Fluoro-Cyclobutane c-C4F8 C4F8 F 1s fc-0ffkk.os IM&88 Can. J. Chem. 66 (88) 2104.  
Perflurocyclohexane c-C6F12 C6F12 C 1s fd-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
Perflurocyclohexane c-C6F12 C6F12 F 1s fd-0ffkk.os IM&88 Can. J. Chem. 66 (88) 2104.  
Hexafluoroethane CF3CF3 C2F6 C 1s fe-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
Hexafluoroethane CF3CF3 C2F6 F 1s fe-0ffkk.os IM&88 Can. J. Chem. 66 (88) 2104.  
11-difluoroethene CF2CH2 C2F2H2 C 1s ff-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
11-ifluoroethene CF2CH2 C2F2H2 F 1s ff-0ffkk.os RI&88 J. El. Spec. 47 (88) 53  
perfluorocyclopentene C5F8 C5F8 C 1s fg-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
perfluorocyclopentene c-C5F8 C5F8 F 1s fg-0ffkk.os RI&88 J. El. Spec. 47 (88) 53  
perfluorohexane C6F14 C6F14 C 1s fh-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
perfluorohexane C6F14 C6F14 F 1s fh-0ffkk.os IM&88 Can. J. Chem. 66 (88) 2104.  
perfluorocyclopentane c-C5F10 C5F10 C 1s fi-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
perfluorocyclopentane c-C5F10 C5F10 F 1s fi-0ffkk.os IH88 J. El. Spec. 46 (88) 55.  
cyclohexadiene-iron-tricarbonyl c-C6H8Fe(CO)3 C9FeH8O3 C 1s fj-0cckk.os WRH92 Organometallics 11 (92) 2559  
cyclohexadiene-iron-tricarbonyl c-C6H8Fe(CO)3 C9FeH8O3 Fe 2p fj-0fel3.os WRH92 Organometallics 11 (92) 2559  
cyclohexadiene-iron-tricarbonyl c-C6H8Fe(CO)3 C9FeH8O3 O 1s fj-0ookk.os WRH92 Organometallics 11 (92) 2559  
Iron nonacarbonyl C9Fe2O9 C9Fe2O9 C 1s fk-0cckk.os RI&88 J. El. Spec. 47 (88) 53.  
Iron nonacarbonyl C9Fe2O9 C9Fe2O9 Fe 2p fk-0fel3.os RI&88 J. El. Spec. 47 (88) 53  
Iron nonacarbonyl Fe2(CO)9 C9Fe2O9 O 1s fk-0ookk.os WRH92 Organometallics 11 (92) 2559.  
Formylfluoride CFHO CFHO C 1s fl-0cckk.os RI&88 J. El. Spec. 47 (88) 53.  
Formylfluoride FCHO CFHO F 1s fl-0ffkk.os IH87 J. Chem. Phys. 87 (87) 830.  
Formylfluoride CFHO CFHO O 1s fl-0ookk.os RI&88 J. El. Spec. 47 (88) 53.  
Formamide HCONH2 CH3ON C 1s fm-0cckk.os IH87 J. Chem. Phys. 87 (87) 830.  
Formamide CH3NO CH3ON N 1s fm-0nnkk.os RI&88 J. El. Spec. 47 (88) 53  
Formamide HCONH2 CH3ON O 1s fm-0ookk.os IH87 J. Chem. Phys. 87 (87) 830.  
Perfluorobutane C4F10 C4F10 C 1s fn-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
Perfluorobutane C4F10 C4F10 F 1s fn-0ffkk.os RI&88 J. El. Spec. 47 (88) 53  
Perfluoroeneopentane C5F12 C5F12 C 1s fo-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
Perfluoroeneopentane C5F12 C5F12 F 1s fo-0ffkk.os RI&88 J. El. Spec. 47 (88) 53  
perfluoropropane C3F8 C3F8 C 1s fp-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
Perfluoropropane CF3CF2CF3 C3F8 F 1s fp-0ffkk.os RI&88 J. El. Spec. 47 (88) 53  
Cyclooctatetraeneiron tricarbonyl C8H8Fe(CO)3 C11FeH8O3 C 1s fq-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
Cyclooctatetraeneiron tricarbonyl C8H8Fe(CO)3 C11FeH8O3 Fe 2p fq-0llkk.os WRH92 Organometallics 11 (92) 2559.  
cyclooctatetraene-iron-tricarbonyl c-C8H8Fe(CO)3 C11FeH8O3 O 1s fq-0ookk.os WRH92 Organometallics 11 (92) 2559.  
Perfluorocyclopropane c-C3F6 C3F6 C 1s fr-0cckk.os HTM89 J. Phys. Chem. 93 (89) 3068.  
Perfluorocyclopropane c-C3F6 C3F6 F 1s fr-0ffkk.os HTM89 J. Phys. Chem. 93 (89) 3068.  
butadiene-iron-tricarbonyl C4H6Fe(CO)3 C7FeH6O3 C 1s fs-0cckk.os WRH92 Organometallics 11 (92) 2559  
butadiene-iron-tricarbonyl C4H6Fe(CO)3 C7FeH6O3 Fe 2p fs-0fell.os WRH92 Organometallics 11 (92) 2559  
butadiene-iron-tricarbonyl C4H6Fe(CO)3 C7FeH6O3 O 1s fs-0ookk.os WRH92 Organometallics 11 (92) 2559  
perfluoro-2-butene CF3CF=CFCF3 C4F8 C 1s ft-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
perfluoro-2-butene CF3CF=CFCF3 C4F8 F 1s ft-0ffkk.os RI&88 J. El. Spec. 47 (88) 53  
Vinylferrocene CH2CHC5H4FeC5H5 C12FeH12 C 1s fu-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
Vinylferrocene CH2CHC5H4FeC5H5 C12H12Fe Fe 2p fu-0llkk.os RI&88 J. El. Spec. 47 (88) 53  
Perfluoro-n-pentane C5F12 C5F12 C 1s fv-0cckk.os IM&88 Can. J. Chem. 66 (88) 2104  
Perfluoro-n-pentane C5F12 C5F12 F 1s fv-0ffkk.os IM&88 Can. J. Chem. 66 (88) 2104  
Iron Pentacarbonyl Fe(CO)5 C5FeO5 C 1s fw-0cckk.os RI&88 J. El. Spec. 47 (88) 53  
Iron Pentacarbonyl Fe(CO)5 C5FeO5 Fe 2p fw-0fel3.os RI&88 J. El. Spec. 47 (88) 53  
Iron Pentacarbonyl Fe(CO)5 C5FeO5 O 1s fw-0ookk.os RI&88 J. El. Spec. 47 (88) 53  
ferrocene Fe(C5H5)2 C10FeH10 C 1s fx-0cckk.os RH89 J.Am.Chem.Soc. 111 (89) 5069  
ferrocene Fee(C5H5)2 C10FeH10 Fe 2p fx-0fel3.os RH89 J.Am.Chem.Soc. 111 (89) 5069  
Perfluoro-2-butyne (Matheson) CF3CCCF3 C4F6 C 1s fy-0cckk.os HB&84 J. Chem. Phys. 80 (1984) 3927  
Perfluoro-2-butyne (Matheson) CF3CCCF3 C4F6 F 1s fy-0ffkk.os HB&84 J. Chem. Phys. 80 (1984) 3927  
Chloro-FRED Cl-C-(Co(CO)3)3 C10ClCo3O9 C 1s gf-0cckk.os HM&93 J.C.S. Faraday Trans 89 (1993) 3331.  
Chloro-FRED Cl-C-(Co(CO)3)3 C10ClCo3O9 Cl 2p gf-0cll3.os HM&93 J.C.S. Faraday Trans 89 (1993) 3331.  
Chloro-FRED Cl-C-(Co(CO)3)3 C10ClCo3O9 Co 2p gf-0col3.os HM&93 J.C.S. Faraday Trans 89 (1993) 3331.  
Chloro-FRED Cl-C-(Co(CO)3)3 C10ClCo3O9 O 1s gf-0ookk.os HM&93 J.C.S. Faraday Trans 89 (1993) 3331.  
glycl-glycine (CO2H)CH(Me)NHCOCH(Me) C6H10N2O2 C1s GG-0CCKK.OS GC&03    
glycl-glycine (CO2H)CH(Me)NHCOCH(Me) C6H10N2O2 N1s GG-0NNKK.OS GC&03    
glycl-glycine (CO2H)CH(Me)NHCOCH(Me) C6H10N2O2 O1s GG-0OOKK.OS GC&03    
glycine NH2CH2COOH C2H5O2N C1s GL-0CCKK.OS GC&03    
glycine NH2CH2COOH C2H5O2N N1s GL-0NNKK.OS GC&03    
glycine NH2CH2COOH C2H5O2N O1s GL-0OOKK.OS GC&03    
glycine NH2CH2COOH C2H5O2N C1s GL-1CCKK.OS GC&03 GC&04 ys.Chem A 107 (2003) 6144. J.El.Spec. 137-140 (2004) 795.  
dimethyl carbonate (CH3O)2CO C3H6O3 C 1s gm-0cckk.os HW&91 Hitchcock (unpublished)  
dimethyl carbonate (CH3O)2CO C3H6O3 O 1s gm-0ookk.os HW&91 Hitchcock (unpublished)  
diphenyl carbonate (C6H5O)2CO C13H10O3 C 1s gp-0cckk.os HW&91 Hitchcock (unpublished).  
saturated Germylene C10N2H22Ge C10N2H22Ge C 1s gs-0cckk.os LU+99 Organometallics 18 (1999) 1862  
saturated Germylene C10N2H22Ge C10N2H22Ge Ge 3p gs-0ge3p.os LU+99 Organometallics 18 (1999) 1862  
saturated Germylene C10N2H22Ge C10N2H22Ge N 1s gs-0nnkk.os LU+99 Organometallics 18 (1999) 1862  
Cyclopentadiene vanadium tetracarbonyl C5H5V(CO)4 C9H5O4V C 1s gt-0cckk.os WHR92 unpublished  
Cyclopentadiene vanadium tetracarbonyl C5H5V(CO)4 C9H5O4V O 1s gt-0ookk.os WHR92 unpublished  
Cyclopentadiene vanadium tetracarbonyl (C5H5)V(CO)4 C9H5O4V V 2p gt-0vvll.os WHR92 unpublished  
unsaturated Germylene C10N2H20Ge C10N2H20Ge C 1s gu-0cckk.os LU+99 Organometallics 18 (1999) 1862  
unsaturated Germylene C10N2H20Ge C10N2H20Ge Ge 3p gu-0ge3p.os LU+99 Organometallics 18 (1999) 1862  
unsaturated Germylene C10N2H20Ge C10N2H20Ge N 1s gu-0nnkk.os LU+99 Organometallics 18 (1999) 1862  
Perfluoroacetone CF3COCF3 C3F6O C 1s ha-0cckk.os RI&88 J. El. Spec. 47 (88) 53.  
Perfluoroacetone CF3COCF3 C3F6O F 1s ha-0ffkk.os RI&88 J. El. Spec. 47 (88) 53.  
Perfluoroacetone CF3COCF3 C3F6O O 1s ha-0ookk.os RI&88 J. El. Spec. 47 (88) 53.  
13-cyclohexadiene c-C6H8 C6H8 C 1s hc-0cckk.os H91 Hitchcock (unpublished)  
14-cyclohexadiene c-C6H8 C6H8 C 1s hd-0cckk.os H91 Hitchcock (unpublised)  
Hexafluorobenzene c-C6F6 C6F6 C 1s hf-0cckk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Hexafluorobenzene c-C6F6 C6F6 F 1s hf-0ffkk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Cyclohexane c-C6H10 C6H10 C 1s hg-0cckk.os HN&86 J. Chem. Phys. 85 (86) 4849.  
Hydrazine N2H4 H4N2 N 1s hn-0nnkk.os H90a Phys. Scripta T31 (90) 159.  
Hydrogen peroxide H2O2 H2O2 O 1s hp-0ookk.os RH91 Chem. Phys. 154 (91) 323.  
24-hexadiene C6H6 C6H6 C 1s hv-0cckk.os HS90 unpublished  
16-heptadiyne HC:::C(CH2)3C:::CH C7H8 C 1s hz-0cckk.os HS90 unpublished  
Isobutane CH3CH(CH3)CH3 C4H10 C 1s ib-0cckk.os HI87 J. El Spec. 42 (87) 11.  
isopropyl ether [(CH3)2CH]2O C6H14O C 1s ie-0cckk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
isopropyl ether [(CH3)2CH]2O C6H14O O 1s ie-0ookk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
ethyl carbamate NH2COOC2H5 C3H7NO2 C 1s if-0cckk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
ethyl carbamate NH2COOC2H5 C3H7NO2 N 1s if-0nnkk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
ethyl carbamate NH2COOC2H5 C3H7NO2 O 1s if-0ookk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
N-methyl-N-phenylurethane C6H5N(CH3)CO2C2H5 C10H13NO2 C 1s ig-0cckk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
N-methyl-N-phenylurethane C6H5N(CH3)CO2C2H5 C10H13NO2 N 1s ig-0nnkk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
N-methyl-N-phenylurethane C6H5N(CH3)CO2C2H5 C10H13NO2 O 1s ig-0ookk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
diphenylmethane (C6H5)2CH2 C13H12 C 1s ih-0cckk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
sec-Butyl-Ethyl-Ether CH3OC4H11 C5H14O C 1s ii-0cckk.os UHR95 unpublished.  
sec-Butyl-Ethyl-Ether CH3OC4H11 C5H14O O 1s ii-0ookk.os UHR95 unpublished  
NN-diphenyl urea (C6H5NH)2CO C13H12N2O C 1s ij-0cckk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
NN-diphenyl urea (C6H5NH)2CO C13H12N2O N 1s ij-0nnkk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
NN-diphenyl urea (C6H5NH)2CO C13H12N2O O 1s ij-0ookk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
ethyl N-phenyl carbamate C6H5NHCOOCH2CH3 C9H11NO2 C 1s ik-0cckk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
ethyl N-phenyl carbamate C6H5NHCOOCH2CH3 C9H11NO2 N 1s ik-0nnkk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
ethyl N-phenyl carbamate C6H5NHCOOCH2CH3 C9H11NO2 O 1s ik-0ookk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
phenylurea C6H5NHCONH2 C7H8N2O C 1s il-0cckk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
phenylurea C6H5NHCONH2 C7H8N2O N 1s il-0nnkk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
phenylurea C6H5NHCONH2 C7H8N2O O 1s il-0ookk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
benzyl carbamate C6H5CH2CONH2 C8H9NO C 1s im-0cckk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
benzyl carbamate C6H5CH2CONH2 C8H9NO N 1s im-0nnkk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
benzyl carbamate C6H5CH2CONH2 C8H9NO O 1s im-0ookk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
246-triphenoxy-135-triazine (Ph-O)3-C3N3 C21H15N3O3 C 1s in-0cckk.os UHR92 Hitchcock (unpublished).  
246-triphenoxy-135-triazine (Ph-O)3-C3N3 C21H15N3O3 N 1s in-0nnkk.os UHR92 Hitchcock (unpublished).  
246-triphenoxy-135-triazine (Ph-O)3-C3N3 C21H15N3O3 O 1s in-0ookk.os UHR92 Hitchcock (unpublished).  
Isopentane (i.e. 2-methylbutane) CH3CH(CH3)CH2CH3 C5H12 C 1s ip-0cckk.os HI87 J. El Spec. 42 (87) 11.  
Isopropanol C3H7OH C3H8O C1s is-0cckk.os HH13 Hitchcock (unpublished)  
Isopropanol C3H7OH C3H8O O1s is-0ookk.os HH13 Hitchcock (unpublished)  
Imidazole C3H4N2 C3H4N2 C 1s iz-0cckk.os AHG93 J. Phys. Chem. 97 (1993) 6859.  
Imidazole C3H4N2 C3H4N2 N 1s iz-0nnkk.os AHG93 J. Phys. Chem. 97 (1993) 6859.  
TDI bis ethyl urethane C13H17N2O4 C13H17N2O4 C 1s ja-0cckk.os UHR95 J. Polymer Science B: Polymer Physics 33 (1995) 1603  
TDI bis ethyl urethane C13H17N2O4 C13H17N2O4 N 1s ja-0nnkk.os UHR95 J. Polymer Science B: Polymer Physics 33 (1995) 1603  
TDI bis ethyl urethane C13H17N2O4 C13H17N2O4 O 1s ja-0ookk.os UHR95 J. Polymer Science B: Polymer Physics 33 (1995) 1603  
MDI bis ethyl urethane C19H22N2O4 C19H22N2O4 C 1s je-0cckk.os UHR95 J. Polymer Science B: Polymer Physics 33 (1995) 1603  
MDI bis ethyl urethane C19H22N2O4 C19H22N2O4 N 1s je-0nnkk.os UHR95 J. Polymer Science B: Polymer Physics 33 (1995) 1603  
trimethyl isocyanurate C6H9N3O3 C6H9N3O3 C 1s jg-0cckk.os UA&99    
trimethyl isocyanurate C6H9N3O3 C6H9N3O3 N 1s jg-0nnkk.os UA&99    
trimethyl isocyanurate C6H9N3O3 C6H9N3O3 O 1s jg-0ookk.os UA&99    
triphenyl isocyanurate C21H15N3O3 C21H15N3O3 C 1s jh-0cckk.os UHR92 J. Polymer Science B: Polymer Physics 33 (1995) 1603  
12-cyclohexanedione para-O=C6H8=O C6H8O2 C 1s ka-0cckk.os FH94 J. Phys. Chem. 98 (1994) 3650.  
12-cyclohexanedione para-O=C6H8=O C6H8O2 O 1s ka-0ookk.os FH94 J. Phys. Chem. 98 (1994) 3650.  
13-cyclohexanedione c-C6H8O2 C6H8O2 C 1s kb-0cckk.os FH94 J. Phys. Chem. 98 (1994) 3650.  
13-cyclohexanedione c-C6H8O2 C6H8O2 O 1s kb-0ookk.os FH94 J. Phys. Chem. 98 (1994) 3650.  
14-cyclohexanedione C6H8O2 C6H8O2 C 1s kc-0cckk.os FH94 J. Phys. Chem. 98 (1994) 3650.  
14-cyclohexanedione C6H8O2 C6H8O2 O 1s kc-0ookk.os FH94 J. Phys. Chem. 98 (1994) 3650.  
cyclohexanone c-C6H10O C6H10O C 1s kd-0cckk.os FH94 J. Phys. Chem. 98 (1994) 3650.  
cyclohexanone c-C6H10O C6H10O O 1s kd-0ookk.os FH94 J. Phys. Chem. 98 (1994) 3650.  
4-HEXEN-3-ONE C2H5(CO)C2H2(ME) C6H10O C1s KE-0CCKK.OS LUH99    
4-HEXEN-3-ONE C2H5(CO)C2H2(ME) C6H10O O1s KE-0OOKK.OS LUH99    
2-cyclohexen-1-one C6H8O C6H80 C1s KF-0CCKK.OS LUH99    
2-cyclohexen-1-one C6H8O C6H80 O1s KF-0OOKK.OS LUH99    
Phenyl Ether PH(O)PH C12H10O C1s KH-0CCKK.OS UP    
Phenylacetylene C8H6 C8H6 C1s KI-0CCKK.OS LUH99    
tetraphenylcyclopentadienone C5(O)(PH)5 C29H20O C1s KJ-0CCKK.OS LUH99    
dimethyl pyrocarbonate MeO-CO-O-CO-OMe C4H6O5 C 1s KL-0CCKK.OS LCH03    
Dimethyl Pyrocarbonate ME(O)CO(O)CO(O)ME C4H6O5 O1s KL-0OOKK.OS LCH03    
Trifluoromethyl-norbornene C7H9CF3 C8F3H9 C 1s km-0cckk.os WH&90 Can. J. Chem. 68 (90) 1967.  
Diacetimide ME(CO)NH(CO)ME C4H7N02 C1s KN-0CCKK.OS LCH03    
Diacetimide ME(CO)NH(CO)ME C4H7N02 N1s KN-0NNKK.OS LCH03    
Diacetimide ME(CO)NH(CO)ME C4H7N02 O1s KN-0OOKK.OS LCH03    
Acetic Anhydride ME(CO)O(CO)ME C4H6O3 C1s KO-0CCKK.OS LCH03    
Acetic Anhydride ME(CO)O(CO)ME C4H6O3 O1s KO-0OOKK.OS LCH03    
AcetylAcetone ME(CO)CH2(CO)ME C5H8O2 C1s KP-0CCKK.OS LCH03    
AcetylAcetone ME(CO)CH2(CO)ME C5H8O2 O1s KP-0OOKK.OS LCH03    
Dimethyl Malonate ME(O)CO(CH2)CO(O)ME C5H8O4 C1s KQ-0CCKK.OS LCH03    
Dimethyl Malonate ME(O)CO(CH2)CO(O)ME C5H8O4 O1s KQ-0OOKK.OS LCH03    
Malonamide NH2(CO)CH2(CO)NH2 C3H6N2O2 C1s KR-0CCKK.OS LCH03    
Malonamide NH2(CO)CH2(CO)NH2 C3H6N2O2 N1s KR-0NNKK.OS LCH03    
Malonamide NH2(CO)CH2(CO)NH2 C3H6N2O2 O1s KR-0OOKK.OS LCH03    
Anthracene C14H10 C14H10 C1s KT-0CCKK.OS GT&03 unpublished  
Pyrene C16H10 C16H10 C1s KU-0CCKK.OS GT&03    
Triphenylene C18H12 C18H12 C1s KV-0CCKK.OS GT&03    
Phenanthrene C14H10 C14H10 C1s KW-0CCKK.OS GT&03    
12-Benzanthracene C18H12 C18H12 C1s KX-0CCKK.OS GT&03    
Toluene ethyl urea C16H19N4O2 C16H19N4O2 C1s KY-0CCKK.OS XX04    
lactic acid CH3CH(OH)COOH C3H6O3 C1s LA-0CCKK.OS GC&03    
lactic acid CH3CH(OH)COOH C3H6O3 01s LA-0OOKK.OS GC&03    
cysteine NH2-CH(CH2SH)-COOH C3H7NO2S C 1s ld-0cckk.os JS&08 J. Phys. Chem. (to submit)  
Manganese carbonylbromide Mn(CO)5Br BrC5MnO5 C 1s mb-0cckk.os RH89 J.Am.Chem.Soc. 111 (89) 5069.  
Manganese carbonylbromide Mn(CO)5Br BrC5MnO5 Mn 2p mb-0mnll.os RH89 J.Am.Chem.Soc. 111 (89) 5069.  
Manganese carbonylbromide Mn(CO)5Br BrC5MnO5 O 1s mb-0ookk.os RH89 J.Am.Chem.Soc. 111 (89) 5069.  
Manganese carbonylhydride Mn(CO)5H C5HMnO5 C 1s mc-0cckk.os RH89 J.Am.Chem.Soc. 111 (89) 5069.  
Manganese carbonylhydride Mn(CO)5H C5HMnO5 O 1s mc-0ookk.os RH89 J.Am.Chem.Soc. 111 (89) 5069.  
Manganese carbonyl Mn2(CO)10 C10Mn2O10 C 1s md-0cckk.os RH89 J.Am.Chem.Soc. 111 (89) 5069.  
Manganese carbonyl Mn2(CO)10 C10Mn2O10 Mn 2p md-0mnl3.os RH89 J.Am.Chem.Soc. 111 (89) 5069.  
Manganese carbonyl Mn2(CO)10 C10Mn2O10 O 1s md-0ookk.os RH89 J.Am.Chem.Soc. 111 (89) 5069.  
Methane CH4 CH4 C 1s me-0cckk.os HI87 J. El Spec. 42 (87) 11.  
Methoxyalkyd.tricobalt nonacarbonyl Co3(CO)9COCH3 C11Co3H3O10 C 1s mf-0cckk.os HM&93 J.C.S. Faraday Trans 89 (1993) 3331.  
Methoxyalkilyd.tricobalt nonacarbonyl Co3(CO)9COCH3 C11Co3H3O10 Co 2p mf-0coll.os HM&93 J.C.S. Faraday Trans 89 (1993) 3331.  
Methoxyalkilyd.tricobalt nonacarbonyl Co3(CO)9COCH3 C11Co3H3O10 O 1s mf-0ookk.os HM&93 J.C.S. Faraday Trans 89 (1993) 3331.  
methylcyclopentadienylmanganese tricarbonyl (CH3C5H4)Mn(CO)3 C9H7MnO3 C 1s mg-0cckk.os W92 A.T. Wen Ph.D. thesis (1992)  
methylcyclopentadienylmanganese tricarbonyl (CH3C5H4)Mn(CO)3 C9H7MnO3 Mn 2p mg-0mnl3.os W92 A.T. Wen Ph.D. thesis (1992)  
methylcyclopentadienylmanganese tricarbonyl (CH3C5H4)Mn(CO)3 C9H7MnO3 O 1s mg-0ookk.os W92 A.T. Wen Ph.D. thesis (1992)  
Trifluoromethylhypofluorite CF3OF CF4O C 1s mh-0cckk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Trifluoromethylhypofluorite CF3OF CF4O F 1s mh-0ffkk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Trifluoromethylhypofluorite CF3OF CF4O O 1s mh-0ookk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Methyl isocyanide CH3N=C C2H3N C 1s mi-0cckk.os HTM89 J. Phys. Chem. 93 (89) 3068.  
Methyl isocyanide CH3N=C C2H3N N 1s mi-0nnkk.os HTM89 J. Phys. Chem. 93 (89) 3068.  
methanol CH3OH CH4O C 1s ml-0cckk.os IH88 J. El. Spec. 46 (88) 55.  
methanol CH3OH CH4O O 1s ml-0ookk.os IH88 J. El. Spec. 46 (88) 55.  
Methyl mercaptan CH3SH CH4S C 1s mm-0cckk.os DTH90 Chem. Phys. 142 (90) 455.  
Methyl mercaptan CH3SH CH4S S 2p 2s mm-0ssll.os DTH90 Chem. Phys. 142 (90) 455.  
Methyl Norbornene CH3-C7H9 C8H12 C 1s mn-0cckk.os WH&90 Can. J. Chem. 68 (90) 1967.  
Bis(cyclopentyl)magnesium (C5H5)2Mg C10H10Mg C 1s mp-0cckk.os WRH89    
methyl formate HCO2CH3 C2H4O2 C 1s mr-0cckk.os IH88 J. Electron Spectrosc. 46 (1988) 55.  
methyl formate HCO2CH3 C2H4O2 O 1s mr-0ookk.os IH88 J. Electron Spectrosc. 46 (1988) 55.  
Tetrafluoromethane (or Freon-114) CF4 CF4 C 1s mt-0cckk.os IM&88 Can. J. Chem. 66 (88) 2104.  
Tetrafluoromethane (or Freon-114) CF4 CF4 F 1s mt-0ffkk.os IM&88 Can. J. Chem. 66 (88) 2104.  
perfluromethyl-methylsulfonate CF3SO3CH3 C2F3H3O3S C 1s mu-0cckk.os H14 Hitchcock (unpublished)  
perfluromethyl-methylsulfonate CF3SO3CH3 C2F3H3O3S F 1s mu-0ffkk.os H14 Hitchcock (unpublished)  
perfluromethyl-methylsulfonate CF3SO3CH3 C2F3H3O3S O 1s mu-0ookk.os H14 Hitchcock (unpublished)  
perfluromethyl-methylsulfonate CF3SO3CH3 C2F3H3O3S S 2p S 2s mu-0ssll.os H14 Hitchcock (unpublished)  
methane sulfonic acid CH3SO3H CH4O3S O 1s mv-0cckk.os H14 Hitchcock (unpublished)  
methane sulfonic acid CH3SO3H CH4O3S S 2p 2s mv-0cckk.os H14 Hitchcock (unpublished)  
methane sulfonic acid CH3SO3H CH4O3S C 1s mv-0cckk.os H14 Hitchcock (unpublished)  
Methyl methanesulfonate CH3SO3CH3 C2H6O3S C1s mw-0cckk.os HH14 Unpublished  
Methyl methanesulfonate CH3SO3CH3 C2H6O3S O1s mw-0ookk.os HH14 Unpublished  
Methyl methanesulfonate CH3SO3CH3 C2H6O3S S2p mw-0ssll.os HH14 Unpublished  
Bis(cyclopentadienyl)manganese (C5H5)2Mn C10H10Mn C 1s mx-0cckk.os HWR89 unpublished.  
Methy fluoride CH3F CFH3 C 1s my-0cckk.os H92a Hitchcock (unpublished)  
Methy fluoride CH3F CFH3 F 1s my-0ffkk.os H92a Hitchcock (unpublished)  
Naphthalene C10H8 C10H8 C 1s na-0cckk.os RI&88 J. El. Spec. 47 (88) 53.  
Naphthalene C10H8 C10H8 C 1s NA-1CCKK.OS GT&03    
Norbornene C7H10 C7H10 C 1s nb-0cckk.os WH&90 Can. J. Chem. 68 (90) 1967.  
bis(12-dicarbollyl)nickel(IV) Ni(B9C2H11)2 B18C4H22Ni B 1s nd-0bbkk.os HLD91 unpublished.  
bBis(12-dicarbollyl)nickel(IV) Ni(B9C2H11)2 B18C4H22Ni C 1s nd-0cckk.os HLD91 unpublished.  
Neon Ne Ne Ne 1s ne-0nekk.os HB80c J. Phys. B 13 (1980) 3269.  
Octafluoronaphthalene(i.e.Perfluoro-) C10F8 C10F8 C 1s nf-0cckk.os RI&88 J. El. Spec. 47 (88) 53.  
Octafluoronaphthalene(i.e.Perfluoro-) C10F8 C10F8 F 1s nf-0ffkk.os RI&88 J. El. Spec. 47 (88) 53.  
ortho nitro aniline o-NO2C6H4NH2 C6H6N2O2 C 1s ng-0cckk.os TUH 96 Can. J. Chem. 74 (1996) 851.  
ortho nitro aniline o-NO2C6H4NH2 C6H6N2O2 N 1s ng-0nnkk.os TUH 96 Can. J. Chem. 74 (1996) 851.  
ortho nitro aniline o-NO2C6H4NH2 C6H6N2O2 O 1s ng-0ookk.os TUH 96 Can. J. Chem. 74 (1996) 851.  
n-Hexane C6H14 C6H14 C 1s nh-0cckk.os HI87 J. El Spec. 42 (87) 11.  
Nickelocene Ni(Cp)2 C10NiH10 C 1s ni-0cckk.os HI87 J. El Spec. 42 (87) 11.  
nitro benzene NO2C6H5 C6H5NO2 C 1s nj-0cckk.os TUH96 Can. J. Chem. 74 (1996) 851.  
nitro benzene NO2C6H5 C6H5NO2 N 1s nj-0nnkk.os TUH96 Can. J. Chem. 74 (1996) 851.  
nitro benzene NO2C6H5 C6H5NO2 O 1s nj-0ookk.os TUH96 Can. J. Chem. 74 (1996) 851.  
meta nitroaniline m-NO2C6H4NH2 C6H6N2O2 C 1s nk-0cckk.os TUH96 Can. J. Chem. 74 (1996) 851.  
meta nitroaniline m-NO2C6H4NH2 C6H6N2O2 N 1s nk-0nnkk.os TUH96 Can. J. Chem. 74 (1996) 851.  
meta nitroaniline m-NO2C6H4NH2 C6H6N2O2 O 1s nk-0ookk.os TUH96 Can. J. Chem. 74 (1996) 851.  
Trifluoronitrosomethane CF3NO CF3NO C 1s nm-0cckk.os HIR89 Hitchcock (unpublished)  
Trifluoronitrosomethane CF3NO CF3NO F 1s nm-0ffkk.os HIR89 Hitchcock (unpublished)  
Trifluoronitrosomethane CF3NO CF3NO N 1s nm-0nnkk.os HIR89 Hitchcock (unpublished)  
Trifluoronitrosomethane CF3NO CF3NO O 1s nm-0ookk.os HIR89 Hitchcock (unpublished)  
Nitrogen N2 N2 N 1s nn-0nnkk.os MC&87 Phys. Rev. A 36 (87) 1683.  
Nitric Oxide NO NO N 1s no-0nnkk.os HF15 unpublished.  
Nitric Oxide NO NO O 1s no-0ookk.os HF15 unpublished.  
n-pentane C5H12 C5H12 C 1s np-0cckk.os HI87 J. El Spec. 42 (87) 11.  
para nitroaniline p-NH2C6H4NO2 C6H6N2O2 C 1s nq-0cckk.os TUH96 Can. J. Chem. 74 (1996) 851.  
para nitroaniline p-NH2C6H4NO2 C6H6N2O2 N 1s nq-0nnkk.os TUH96 Can. J. Chem. 74 (1996) 851.  
para nitroaniline p-NH2C6H4NO2 C6H6N2O2 O 1s nq-0ookk.os TUH96 Can. J. Chem. 74 (1996) 851.  
n-propane C3H8 C3H8 C 1s nr-0cckk.os HI87 J. El Spec. 42 (87) 11.  
Trifluoroacetonitrile CF3CN C2F3N C 1s nt-0cckk.os HS90 unpublished  
Trifluoroacetonitrile CF3CN C2F3N F 1s nt-0ffkk.os HS90 unpublished  
Trifluoroacetonitrile CF3CN C2F3N N 1s nt-0nnkk.os HS90 unpublished  
1234-tetramethylnaphthalene C10H16 C10H16 C 1s ny-0cckk.os CH07 Unpublished (measured 92-93)  
monofluorobenzene c-C6H5F C6FH5 C 1s ob-0cckk.os HF&87 J. Phys. Chem. 91 (87) 531.  
monofluorobenzene c-C6H5F C6FH5 F 1s ob-0ffkk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Cyclooctatetraene c-C8H8 C8H8 C 1s oc-0cckk.os HN&86 J. Chem. Phys. 85 (86) 4849.  
Oxygen Difluoride OF2 F2O F 1s of-0ffkk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Oxygen Difluoride OF2 F2O O 1s of-0ookk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
tetraaminoethylene tetramethyl C10N4H20 C10N4H20 1s OL-0CCKK.OS LU+99    
tetraaminoethylene tetramethyl C10N4H20 C10N4H20 1s OL-ONNKK.OS LU+99    
Oxygen O2 O2 O 1s ox-0ookk.os HF&93 Hitchcock (unpublished)  
Tetrahydropyran c-C5H10O C5H10O C 1s pa-0cckk.os NIH86 Can. J. Chem. 64 (86) 1145.  
Tetrahydropyran c-C5H10O C5H10O O 1s pa-0ookk.os NIH86 Can. J. Chem. 64 (86) 1145.  
Di-t-butylphosphorus chloride (C4H9)2PCl ClC8H18P C 1s pb-0cckk.os HH+98 J. El. Spec. 94 (1998) 187.  
Di-t-butylphosphorus chloride (C4H9)2PCl ClC8H18P P 2p pb-0ppmm.os HH+98 J. El. Spec. 94 (1998) 187.  
Di-t-butylphosphorus chloride (C4H9)2PCl ClC8H18P Cl 2p pb-0xxmm.os HH+98 J. El. Spec. 94 (1998) 187.  
propene C3H6 C3H6 C 1s pc-0cckk.os HS90 unpublished  
Cyclopentadiene (cp) C5H6 C5H6 C 1s pd-0cckk.os RWH91 J. El. Spec. 57 (91) 137.  
Pentafluorobenzene c-C6F5H C6F5H C 1s pf-0cckk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Pentafluorobenzene c-C6F5H C6F5H F 1s pf-0ffkk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Propargyl alcohol C3H4O C3H4O C 1s pg-0cckk.os IH88 J. El. Spec. 46 (88) 55.  
Propargyl alcohol C3H4O C3H4O O 1s pg-0ookk.os IH88 J. El. Spec. 46 (88) 55.  
Phosgene Cl2CO CCl2O C 1s ph-0cckk.os HUR92 J. Phys. Chem. 96 (92) 8736.  
Phosgene Cl2CO CCl2O O 1s ph-0ookk.os HUR92 J. Phys. Chem. 96 (92) 8736.  
Piperdine c-C5H11N C5H11N C 1s pi-0cckk.os NIH86 Can. J. Chem. 64 (86) 1145.  
Piperdine c-C5H11N C5H11N N 1s pi-0nnkk.os NIH86 Can. J. Chem. 64 (86) 1145.  
Polyglycol P-390 [O-(C3H6)-O]n   C 1s pj-0cckk.os UP    
Polyglycol P-390 [O-(C3H6)-O]n   O 1s pj-0ookk.os UP    
12-propanediol C3H8O2 C3H8O2 C 1s pk-0cckk.os EUH98 unpublished  
12-propanediol C3H8O2 C3H8O2 O 1s pk-0ookk.os EUH98 unpublished  
n-Propanol CH3CH2CH2OH C3H8O C 1s pl-0cckk.os IH88 J. El. Spec. 46 (88) 55.  
n-Propanol CH3CH2CH2OH C3H8O O 1s pl-0ookk.os IH88 J. El. Spec. 46 (88) 55.  
propionic acid CH3CH2COOH C2H6O2 C 1s pn-0cckk.os IH88 J. El. Spec. 46 (88) 55.  
propionic acid CH3CH2COOH C2H6O2 O 1s pn-0ookk.os IH88 J. El. Spec. 46 (88) 55.  
Pyrrole c-C4H5N C4H5N C 1s po-0cckk.os NIH86 Can. J. Chem. 64 (86) 1145.  
Pyrrole c-C4H5N C4H5N N 1s po-0nnkk.os NIH86 Can. J. Chem. 64 (86) 1145.  
Propiolic acid HCCCO2H C3H2O2 C 1s pp-0cckk.os IH88 J. El. Spec. 46 (88) 55.  
Propiolic acid HCCCO2H C3H2O2 O 1s pp-0ookk.os IH88 J. El. Spec. 46 (88) 55.  
Pyrrolidine c-C4H9N C4H9N C 1s pq-0cckk.os NIH86 Can. J. Chem. 64 (86) 1145.  
Pyrrolidine c-C4H9N C4H9N N 1s pq-0nnkk.os NIH86 Can. J. Chem. 64 (86) 1145.  
Proline C5H9NO2 C5H9NO2 C 1s pr-0cckk.os JS&08 Jiang et al (unpublished)  
Phenyl methyl ketone (C6H5)CO(CH3) C8H8O C1s pt-0cckk.os HH13 Hitchcock (unpublished)  
Phenyl methyl ketone (C6H5)CO(CH3) C8H8O O1s pt-0ookk.os HH13 Hitchcock (unpublished)  
Cyclopentane c-C5H10 C5H10 C 1s pu-0cckk.os HN&86 J. Chem. Phys. 85 (86) 4849.  
Cyclopentene c-C5H8 C5H8 C 1s pv-0cckk.os HN&86 J. Chem. Phys. 85 (86) 4849.  
Propyne C3H4 C3H4 C 1s pw-0cckk.os HS90 unpublished  
Bis(trifluoromethyl) peroxide CF3OOCF3 C2F6O2 C 1s px-0cckk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Bis(trifluoromethyl) peroxide CF3OOCF3 C2F6O2 F 1s px-0ffkk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Bis(trifluoromethyl) peroxide CF3OOCF3 C2F6O2 O 1s px-0ookk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Pyridine c-C5H5N C5H5N C 1s py-0cckk.os HS&85 J. Chem. Phys. 83 (85) 6099.  
Pyridine c-C5H5N C5H5N N 1s py-0nnkk.os HS&85 J. Chem. Phys. 83 (85) 6099.  
N-Hexylpyruvamide C3H5NO2 C3H5NO2 C1s PZ-0CCKK.OS UP    
14-benzoquinone C6H4O2 C6H4O2 C 1s qb-0cckk.os FH92 J. Phys. Chem. 96 (92) 6598.  
14-benzoquinone C6H4O2 C6H4O2 O 1s qb-0ookk.os FH92 J. Phys. Chem. 96 (92) 6598.  
terephthaloyl chloride C6H4-14-(COCl)2 C8Cl2H4O2 C 1s qc-0cckk.os HUR92 J. Phys. Chem. 96 (92) 8736.  
terephthaloyl chloride C6H4-14-(COCl)2 C8Cl2H4O2 O 1s qc-0ookk.os HUR92 J. Phys. Chem. 96 (92) 8736.  
Hydroquinone C6H4(OH)2 C6H6O2 C 1s qh-0cckk.os FH92 J. Phys. Chem. 96 (92) 6598.  
Hydroquinone C6H4(OH)2 C6H6O2 O 1s qh-0ookk.os FH92 J. Phys. Chem. 96 (92) 6598.  
Phenol C6H5OH C6H6O C 1s qm-0cckk.os FH92 J. Phys. Chem. 96 (92) 6598.  
Phenol C6H5OH C6H6O O 1s qm-0ookk.os FH92 J. Phys. Chem. 96 (92) 6598.  
Cyclopentyl-rhenium-carbonyl-nitrogen Cp*Re(CO)2N2 C12H15N2O2Re C 1s rn-0cckk.os HS92 unpublished  
Cyclopentyl-rhenium-carbonyl-nitrogen Cp*Re(CO)2N2 C12H15N2O2Re N 1s rn-0nnkk.os HS92 unpublished  
Cyclopentyl-rhenium-carbonyl-nitrogen Cp*Re(CO)2N2 C12H15N2O2Re O 1s rn-0ookk.os HS92 unpublished  
3-Bu-thiophene C4H9-C4H4S C8H13S C 1s sb-0cckk.os HT&90 J. Phys. Chem. 94 (90) 2327.  
3-Bu-thiophene C4H9-C4H4S C8H13S S 2p sb-0ssl3.os HT&90 J. Phys. Chem. 94 (90) 2327.  
hexachlorodisilane Cl3SiSiCl3 Cl6Si2 Cl 2p sc-0cll3.os W92 A.T. Wen Ph.D. thesis (1992)  
hexachlorodisilane Cl3SiSiCl3 Cl6Si2 Si 2p sc-0sil3.os W92 A.T. Wen Ph.D. thesis (1992).  
3-decyl-thiophene C10H21-C4H4S C14H25S C 1s sd-0cckk.os HT&90 J. Phys. Chem. 94 (90) 2327.  
Selenophene c-SeC4H4 C4H4Se C 1s se-0cckk.os HTB89 Can. J. Chem. 67 (89) 1819.  
Selenophene c-SeC4H4 C4H4Se Se 3d 3p se-0sem5.os HTB89 Can. J. Chem. 67 (89) 1819.  
sulfur hexafluoride SF6 F6S F 1s sf-0ffkk.os FH15 Hitchcock (unpublished)  
Sulfurhexafluoride SF6 F6S S 2s sf-0ss2s.os FT+95 Phys. Rev. A. 52 (1995) 4665.  
Sulfurhexafluoride SF6 F6S S 2s sf-0ssl1.os FT+95 Phys. Rev. A. 52 (1995) 4665.  
Sulfurhexafluoride SF6 F6S S 2p sf-0ssl3.os HB78c Chem. Phys. 33 (78) 55.  
sulfur hexafluoride SF6 F6S S 2p sf-0sspp.os FH15 Hitchcock (unpublished)  
Silicon tetrachloride SiCl4 Cl4Si Cl 2p sg-0cll3.os W92 A.T. Wen Ph.D. thesis (1992)  
Silicon tetrachloride SiCl4 Cl4Si Si 2p sg-0sil3.os W92 A.T. Wen Ph.D. thesis (1992)  
3-Hx-thiophene C6H13-C4H4S C10H17S C 1s sh-0cckk.os HT&90 J. Phys. Chem. 94 (90) 2327.  
3-Hx-thiophene C6H13-C4H4S C10H17S S 2p sh-0ssl3.os HT&90 J. Phys. Chem. 94 (90) 2327.  
hexamethyldisilane (CH3)3SiSi(CH3)3 C6H18Si2 C 1s si-0cckk.os W92 A.T. Wen Ph.D. thesis (1992)  
hexamethyldisilane (CH3)3SiSi(CH3)3 C6H18Si2 Si 2p si-0sil3.os W92 A.T. Wen Ph.D. thesis (1992)  
tetrakisttrimethylsilyl-silane Si[Si(CH3)3]4 C12H36Si5 C 1s sj-0cckk.os W92 A.T. Wen Ph.D. thesis (1992)  
tetrakisttrimethylsilyl-silane Si[Si(CH3)3]4 C12H36Si5 Si 2p sj-0sil3.os W92 A.T. Wen Ph.D. thesis (1992)  
sulfurtetrafluoride SF4 SF4 F 1s sk-0ffkk.os BH87 Chem. Phys. 111 (87) 467.  
sulfurtetrafluoride SF4 SF4 S 2p sk-0ssl3.os BH87 Chem. Phys. 111 (87) 467.  
3-Me-selenophene CH3-C4H4Se C5H7Se C 1s sm-0cckk.os HTB89 Can. J. Chem. 67 (89) 1819.  
Carbonyl sulfide COS COS C 1s so-0cckk.os MH&89 Hitchcock (unpublished)  
Carbonyl sulfide COS COS O 1s so-0ookk.os MH&89 Hitchcock (unpublished)  
Carbonyl sulfide COS COS S 2p so-0ssl3.os MH&89 Hitchcock (unpublished)  
Triphenylsilane (C6H5)3SiH C18H15SiH C1s sp-0cckk.os HH13 Hitchcock (unpublished)  
Triphenylsilane (C6H5)3SiH C18H15SiH Si 2p sp-0sill.os HH13 Hitchcock (unpublished)  
hexamethyl disiloxane O(SiMe3)2 C6H18OSi2 C 1s ss-0cckk.os UT+97 Organometallics 16 (1997) 2080.  
hexamethyl disiloxane O(SiMe3)2 C6H18OSi2 O 1s ss-0ookk.os UT+97 Organometallics 16 (1997) 2080.  
hexamethyl disiloxane O(SiMe3)2 C6H18OSi2 Si 2p ss-0sill.os UT+97 Organometallics 16 (1997) 2080.  
3-Et-thiophene C2H5-C4H4S C6H9S C 1s st-0cckk.os HT&90 J. Phys. Chem. 94 (90) 2327.  
3-Et-thiophene C2H5-C4H4S C6H9S S 2p st-0ssl3.os HT&90 J. Phys. Chem. 94 (90) 2327.  
3-octyl-thiophene C8H17-C4H4S C12H21S C 1s sx-0cckk.os HT&89 J. Phys. Chem. 93 (89) 7624.  
3-octyl-thiophene C8H17-C4H4S C12H21S S 2p sx-0ssl3.os HT&89 J. Phys. Chem. 93 (89) 7624.  
tetra-cyclo-dimethylsiloxyl c-(O-Si(CH3)2)4 C8H24O4Si4 C 1s sy-0cckk.os UT+97 Organometallics 16 (1997) 2080.  
tetra-cyclo-dimethylsiloxyl c-(O-Si(CH3)2)4 C8H24O4Si4 O 1s sy-0ookk.os UT+97 Organometallics 16 (1997) 2080.  
tetra-cyclo-dimethylsiloxyl c-(O-Si(CH3)2)4 C8H24O4Si4 Si 2p sy-0sill.os UT+97 Organometallics 16 (1997) 2080.  
Thiophene c-C4H4S C4H4S C 1s ta-0cckk.os HN&86 J. Chem. Phys. 85 (86) 4849.  
Thiophene c-C4H4S C4H4S S 1s ta-0ssl3.os HN&86 J. Chem. Phys. 85 (86) 4849.  
Tetrafluorobenzene c-C6F4H2 C6F4H2 C 1s tb-0cckk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Tetrafluorobenzene c-C6F4H2 C6F4H2 F 1s tb-0ffkk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Methylthiocyanide CH3SCN C2H3NS C 1s tc-0cckk.os HTM89 J. Phys. Chem. 93 (89) 3068.  
Methylthiocyanide CH3SCN C2H3NS N 1s tc-0nnkk.os HTM89 J. Phys. Chem. 93 (89) 3068.  
Methylthiocyanide CH3SCN C2H3NS S 2p tc-0ssl3.os HTM89 J. Phys. Chem. 93 (89) 3068.  
Cyclopentadienyltitanium trichloride C5H5TiCl3 C5Cl3H5Ti C 1s td-0cckk.os WH93 Can. J. Chem. 71 (1993) 1632.  
Cyclopentadienyltitanium trichloride C5H5TiCl3 C5Cl3H5Ti Cl 2p td-0cll3.os WH93 Can. J. Chem. 71 (1993) 1632.  
Cyclopentadienyltitanium trichloride C5H5TiCl3 C5Cl3H5Ti Ti 2p td-0til3.os WH93 Can. J. Chem. 71 (1993) 1632.  
Tetrafluoroethene CF2CF2 C2F4 C 1s te-0cckk.os MC&87 Phys. Rev. A 36 (87) 1683.  
Tetrafluoroethene CF2CF2 C2F4 F 1s te-0ffkk.os MC&87 Phys. Rev. A 36 (87) 1683.  
135-trifluorobenzene c-C6F3H3 C6F3H3 C 1s tf-0cckk.os HF&87 J. Phys. Chem. 91 (87) 531.  
135-trifluorobenzene c-C6F3H3 C6F3H3 F 1s tf-0ffkk.os HF&87 J. Phys. Chem. 91 (87) 531.  
Titanocene dichloride (C5H5)2TiCl2 C10Cl2H10Ti C 1s tg-0cckk.os WH93 Can. J. Chem. 71 (1993) 1632.  
Titanocene dichloride (C5H5)2TiCl2 C10Cl2H10Ti Cl 2p tg-0cll3.os WH93 Can. J. Chem. 71 (1993) 1632.  
Titanocene dichloride (C5H5)2TiCl2 C10Cl2H10Ti Ti 2p tg-0til3.os WH93 Can. J. Chem. 71 (1993) 1632.  
Methyl-thio-isocyanide CH3SNC C2H3NS C 1s ti-0cckk.os HTM89 J. Phys. Chem. 93 (89) 3068.  
Methyl-thio-isocyanide CH3SNC C2H3NS N 1s ti-0nnkk.os HTM89 J. Phys. Chem. 93 (89) 3068.  
Titanium tetrachloride TiCl4 Cl4Ti Cl 2p tj-0cll3.os WH93 Can. J. Chem. 71 (1993) 1632.  
Titanium tetrachloride TiCl4 Cl4Ti Ti 2p tj-0til3.os WH93 Can. J. Chem. 71 (1993) 1632.  
Tetrahydrofuran c-C4H8O C4H8O C 1s tk-0cckk.os NIH86 Can. J. Chem. 64 (86) 1145.  
Tetrahydrofuran c-C4H8O C4H8O O 1s tk-0ookk.os NIH86 Can. J. Chem. 64 (86) 1145.  
t-Butyl alcohol C4H9OH C4H10O C 1s tl-0cckk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
t-Butyl alcohol C4H9OH C4H10O O 1s tl-0ookk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
trimer of imidazole (C3N2(CN)2)3 C15N12 C 1s tm-0cckk.os UP    
Tetrafluorohyrazene NF2NF2 F4N2 F 1s tn-0ffkk.os HIR89 Hitchcock (unpublished)  
Tetrafluorohyrazene NF2NF2 F4N2 N 1s tn-0nnkk.os HIR89 Hitchcock (unpublished)  
Toluene C7H8 C7H8 C 1s to-0cckk.os CH07 Unpublished (measured 92-93)  
1-Trimethyl silyl-1 4-pentadyne HCCCH2CCSi(CH3)3 C8H12Si C 1s tp-0cckk.os HS90 unpublished  
1-Trimethyl silyl-14-pentadyne HCCCH2CCSi(CH3)3 C8H12Si Si 2p 2s tp-0sill.os HS90 unpublished  
Terephthaldicarboxaldehyde C6H4-14-(CHO)2 C8H6O2 C 1s tq-0cckk.os HUR92 J. Phys. Chem. 96 (92) 8736.  
Terephthaldicarboxaldehyde C6H4-14-(CHO)2 C8H6O2 O 1s tq-0ookk.os HUR92 J. Phys. Chem. 96 (92) 8736.  
Trifluoroethylene CF2=CHF C2F3H C 1s tr-0cckk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Trifluoroethylene CF2=CHF C2F3H F 1s tr-0ffkk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Trifluoromethane CF3H CF3H C 1s ty-0cckk.os HN86 Hitchcock (unpublished)  
Trifluoromethane CF3H CF3H F 1s ty-0ffkk.os HN86 Hitchcock (unpublished)  
s-triazine C3N3H3 C3H3N3 C 1s tz-0cckk.os AHG93 J. Phys. Chem. 97 (1993) 6859.  
s-triazine C3N3H3 C3H3N3 N 1s tz-0nnkk.os AHG93 J. Phys. Chem. 97 (1993) 6859.  
trimethylmethoxy silane Me3SiOMe C4H12OSi C 1s ua-0cckk.os UT+97 Organometallics 16 (1997) 2080.  
trimethylmethoxy silane Me3SiOMe C4H12OSi O 1s ua-0ookk.os UT+97 Organometallics 16 (1997) 2080.  
trimethylmethoxy silane Me3SiOMe C4H12OSi Si 2p ua-0sill.os UT+97 Organometallics 16 (1997) 2080.  
triethylsilanol Et3SiOH C6H16OSi C 1s uc-0cckk.os UH94a unpublished  
tri-cyclo-dimethylsiloxyl c-(O-Si(CH3)2)3 C6H18O3Si3 C 1s ud-0cckk.os UH94a unpublished  
tri-cyclo-dimethylsiloxyl c-(O-Si(CH3)2)3 C6H18O3Si3 O 1s ud-0ookk.os UH94a unpublished  
tri-cyclo-dimethylsiloxyl c-(O-Si(CH3)2)3 C6H18O3Si3 Si 2p ud-0sill.os UH94a unpublished  
tetrakis(dimethylamino)silane Si[NMe2]4 C8H24N4Si C 1s ue-0cckk.os UH94b unpublished  
tetrakis(dimethylamino)silane Si[NMe2]4 C8H24N4Si N 1s ue-0nnkk.os UH94b unpublished  
tetrakis(dimethylamino)silane Si[NMe2]4 C8H24N4Si Si 2p ue-0sill.os UH94b unpublished  
tris(trimethyl silyl)amine N[SiMe3]3 C9H27NSi3 C 1s uf-0cckk.os UH94b unpublished  
tris(trimethyl silyl)amine N[SiMe3]3 C9H27NSi3 N 1s uf-0nnkk.os UH94b unpublished  
tris(trimethyl silyl)amine N[SiMe3]3 C9H27NSi3 Si 2p uf-0sill.os UH94b unpublished  
dimethylamino trimethylsilane Me3Si[NMe2] C5H15NSi C 1s ug-0cckk.os UH94b unpublished  
dimethylamino trimethylsilane Me3Si[NMe2] C5H15NSi N 1s ug-0nnkk.os UH94b unpublished  
dimethylamino trimethylsilane Me3Si[NMe2] C5H15NSi Si 2p ug-0sill.os UH94b unpublished  
silyl triflate Me3SiOSO2CF3 C4F3H9O3SSi C 1s uh-0cckk.os UH94a unpublished  
silyl triflate Me3SiOSO2CF3 C4F3H9O3SSi Si 2p uh-0sill.os UH94a unpublished  
tetramethylsilane Me4Si C4H12Si C 1s ui-0cckk.os UX+94 Chem. Phys. 189 (1994) 757.  
tetramethylsilane Me4Si C4H12Si Si 2p ui-0sill.os UX+94 Chem. Phys. 189 (1994) 757.  
bis(dimethylamino)dimethylsilane Me2Si[NMe2]2 C6H16N2Si C 1s uj-0cckk.os UH+94b unpublished  
bis(dimethylamino)dimethylsilane Me2Si[NMe2]2 C6H16N2Si N 1s uj-0nnkk.os UH+94b unpublished  
bis(dimethylamino)dimethylsilane Me2Si[NMe2]2 C6H16N2Si Si 2p uj-0sill.os UH+94b unpublished  
tris(dimethylamino)methyl silane MeSi[NMe2]3 C7H18N3Si C 1s uk-0cckk.os UH+94b unpublished  
tris(dimethylamino)methyl silane MeSi[NMe2]3 C7H18N3Si N 1s uk-0nnkk.os UH+94b unpublished  
tris(dimethylamino)methyl silane MeSi[NMe2]3 C7H18N3Si Si 2p uk-0sill.os UH+94b unpublished  
paracarborane p-C2B10H12 B10C2H12 B 1s ul-0bbkk.os HU+96 J. Phys. Chem. B. 101 (1996) 3483.  
paracarborane p-C2B10H12 B10C2H12 C 1s ul-0cckk.os HU+96 J. Phys. Chem. B. 101 (1996) 3483.  
dimethyl phthalate C6H4-12-(CO2CH3)2 C10H10O4 C 1s um-0cckk.os UH+97a J. Phys. Chem. B. 101 (1997) 2267.  
dimethyl phthalate C6H4-12-(CO2CH3)2 C10H10O4 O 1s um-0ookk.os UH+97a J. Phys. Chem. B. 101 (1997) 2267.  
dimethyl isophthalate C6H4-13-(CO2CH3)2 C10H10O4 C 1s un-0cckk.os UH+97a J. Phys. Chem. B. 101 (1997) 2267.  
dimethyl isophthalate C6H4-13-(CO2CH3)2 C10H10O4 O 1s un-0ookk.os UH+97a J. Phys. Chem. B. 101 (1997) 2267.  
silylene Si(NtBuCH=CHNtBu) C10H20N2Si C 1s uo-0cckk.os UH+98 Organometallics 17 (1998) 2352.  
silylene Si(NtBuCH=CHNtBu) C10H20N2Si N 1s uo-0nnkk.os UH+98 Organometallics 17 (1998) 2352.  
silylene Si(NtBuCH=CHNtBu) C10H20N2Si Si 2p uo-0sill.os UH+98 Organometallics 17 (1998) 2352.  
TDI bis methyl urethane 2? (MeO2CNH)2Ph-Me C11H13N2O4 C 1s up-0cckk.os GC&03    
TDI bis methyl urethane 2? (MeO2CNH)2Ph-Me C11H13N2O4 N 1s up-0nnkk.os UHR99    
TDI bis methyl urethane 2? (MeO2CNH)2Ph-Me C11H13N2O4 O 1s up-0ookk.os GC&03    
unsaturated SiH2 silylene H2Si(NtBuCH=CHNtBu) C10H22N2Si C 1s uq-0cckk.os UH+98 Organometallics 17 (1998) 2352.  
unsaturated SiH2 silylene H2Si(NtBuCH=CHNtBu) C10H22N2Si N 1s uq-0nnkk.os UH+98 Organometallics 17 (1998) 2352.  
unsaturated SiH2 silylene H2Si(NtBuCH=CHNtBu) C10H22N2Si Si 2p uq-0sill.os UH+98 Oranometallics 17 (1998) 2352.  
Urea (NH2)2C=O CH4N2O C 1s ur-0cckk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
Urea (NH2)2C=O CH4N2O N 1s ur-0nnkk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
Urea (NH2)2C=O CH4N2O O 1s ur-0ookk.os UH&95b J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603.  
saturated SiH2 silylene H2Si(NtBuCH2CH2NtBu) C10H24N2Si C 1s us-0cckk.os UH+98 Organometallics 17 (1998) 2352.  
saturated SiH2 silylene H2Si(NtBuCH2CH2NtBu) C10H24N2Si N 1s us-0nnkk.os UH+98 Organometallics 17 (1998) 2352.  
saturated SiH2 silylene H2Si(NtBuCH2CH2NtBu) C10H24N2Si Si 2p us-0sill.os UH+98 Organometallics 17 (1998) 2352.  
saturated silylene Si(NtBuCH2CH2NtBu) C10H22N2Si C 1s ut-0cckk.os UH+98 Organometallics 17 (1998) 2352.  
saturated silylene Si(NtBuCH2CH2NtBu) C10H22N2Si N 1s ut-0nnkk.os UH+98 Organometallics 17 (1998) 2352.  
saturated silylene Si(NtBuCH2CH2NtBu) C10H22N2Si Si 2p ut-0sill.os UH+98 Organometallics 17 (1998) 2352.  
1-azido adamantane N3-C915 C9H15N3 C 1s uu-0cckk.os UP UP  
1-azido adamantane N3-C915 C9H15N3 N 1s uu-0nnkk.os UP UP  
azido trimethylsilane (CH3)3Si-N3 C3H9N3Si C 1s uw-0cckk.os UP    
azido trimethylsilane (CH3)3Si-N3 C3H9N3Si N 1s uw-0nnkk.os UP    
trimethylsilyloxy-N=CMe2 Me3SiON=C(Me)2 C6H18NOSi C 1s ux-0cckk.os UH+94b unpublished  
trimethylsilyloxy-N=CMe2 Me3SiON=C(Me)2 C6H18NOSi O 1s ux-0ookk.os UH+94b unpublished  
trimethylsilyloxy-N=CMe2 Me3SiON=C(Me)2 C6H18NOSi Si 2p ux-0sill.os UH+94b unpublished  
tolylene 24 diisocyanate CH3C6H3(NCO)2 C9H6N2O2 C 1s uy-0cckk.os UHR99    
tolylene 24 diisocyanate CH3C6H3(NCO)2 C9H6N2O2 N 1s uy-0nnkk.os UHR99    
tolylene 24 diisocyanate CH3C6H3(NCO)2 C9H6N2O2 O 1s uy-0ookk.os UHR99    
n-methyl aniline CH3NH-C6H5 C7H9N C 1s uz-0cckk.os UH96 unpublished  
n-methyl aniline CH3NH-C6H5 C7H9N N 1s uz-0nnkk.os UH96 unpublished  
DABCO 14diazabicyclo[222]octane C6H12N2 C6H12N2 C 1s va-0cckk.os RUH95 unpublished  
DABCO 14diazabicyclo[222]octane C6H12N2 C6H12N2 N 1s va-0nnkk.os RUH95 unpublished  
tolylene 2 6 diisocyanate CH3C6H3(NCO2) C9H6N2O2 C 1s vb-0cckk.os UHR99 unpublished  
tolylene 26 diisocyanate CH3C6H3(NCO2) C9H6N2O2 N 1s vb-0nnkk.os UHR99 unpublished  
tolylene 2 6 diisocyanate CH3C6H3(NCO2) C9H6N2O2 O 1s vb-0ookk.os UHR99 unpublished  
dimethyltetrafluorobenzeocyclobutane C10H8F4 C10F4H8 C 1s ve-0cckk.os UH96 unpublished  
Vinylfluoride CH2CHF C2FH3 C 1s vf-0cckk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Vinylfluoride CH2CHF C2FH3 F 1s vf-0ffkk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
1234-tetrahydro-1-naphthyl-amine C10H12N C10H12N C 1s vg-0cckk.os UP    
1234-tetrahydro-1-naphthyl-amine C10H12N C10H12N N 1s vg-0nnkk.os UP    
o-xylene Me-Ph-Me C8H10 C 1s vh-0cckk.os EH+98 J. El. Spec. 94 (1998) 243.  
m-xylene Me-Ph-Me C8H10 C 1s vi-0cckk.os EH+98 J. El. Spec. 94 (1998) 243.  
p-xylene Me-Ph-Me C8H10 C 1s vj-0cckk.os EH+98 J. El. Spec. 94 (1998) 243.  
Benzoic Anhydride C14H10O3 C14H10O3 C 1s vk-0cckk.os LUH97 unpublished  
anisole Ph-O-Me C7H8O C 1s vl-0cckk.os UHR97 unpublished  
anisole Ph-O-Me C7H8O O 1s vl-0ookk.os UHR97 unpublished  
Carbene saturated H2(methyl) C5H12N2 C5H12N2 N 1s vm-0nnkk.os LU+99 Organometallics 18 (1999) 1862  
Vinyl benzoate C9H8O2 C9H8O2 C 1s vn-0cckk.os LUH97 unpublished  
Vinyl benzoate C9H8O2 C9H8O2 O 1s vn-0ookk.os LUH97 unpublished  
trimethylethoxysilane (CH3)3Si(OC2H5) C5H14OSi C1s VQB-0CCKK.OS TC&02    
trimethylethoxysilane (CH3)3Si(OC2H5) C5H14OSi 01s VQB-0OOKK.OS TC&02    
trimethylethoxysilane (CH3)3Si(OC2H5) C5H14OSi Si2p 2s VQB-0SILL.OS TC&02    
vinyltriacetoxysilane CH2=CHSi(OOCCH3)3 C8H12O3Si C1s VR-0CCKK.OS TC&02    
vinyltriacetoxysilane CH2=CHSi(OOCCH3)3 C8H12O3Si O1s VR-0OOKK.OS TC&02    
vinyltriacetoxysilane CH2=CHSi(OOCCH3)3 C8H12O3Si Si2p 2s VR-0SILL.OS TC&02    
vinyltriethoxysilane CH2=CHSi(OC2H5)3 C8H18O3Si C1s VS-0CCKK.OS TC&02    
vinyltriethoxysilane CH2=CHSi(OC2H5)3 C8H18O3Si O1s VS-0OOKK.OS TC&02    
vinyltriethoxysilane CH2=CHSi(OC2H5)3 C8H18O3Si Si2p 2s VS-0SILL.OS TC&02    
butylated-hydroxytoluene t-(Bu)2-Me-Bz-OH C15H24O C 1s vt-0cckk.os LUH97 unpublished  
butylated-hydroxytoluene t-(Bu)2-Me-Bz-OH C15H24O O 1s vt-0ookk.os LUH97 unpublished  
Vanadocene dichloride (C5H5)2VCl2 C10Cl2H10V C 1s vv-0cckk.os LCH03 unpublished  
Carbene saturated #2 C11H24N2 C11H24N2 C 1s vw-0cckk.os LU+99 Organometallics 18 (1999) 1862  
Carbene saturated #2 C11H24N2 C11H24N2 N 1s vw-0nnkk.os LU+99 Organometallics 18 (1999) 1862  
Carbene Unsaturated C11H20N2 C11H20N2 C 1s vy-0cckk.os LU+99 Organometallics 18 (1999) 1862  
Carbene Unsaturated C11H20N2 C11H20N2 N 1s vy-0nnkk.os LU+99 OOrganometallics 18 (1999) 1862  
Carbene saturated C11H20N2 C11H20N2 C 1s vz-0cckk.os LU+99 Organometallics 18 (1999) 1862  
Carbene saturated C11H20N2 C11H20N2 N 1s vz-0nnkk.os LU+99 Organometallics 18 (1999) 1862  
Water H2O H2O O 1s wa-0ookk.os MI&87 J.Chem.Phys. 87 (87) 4344.  
Dimethyl cyclobutene C6H10 C6H10 C 1s ya-0cckk.os EL+98 unpublished  
cis-tetramethylcyclobutene C8H14 C8H14 C 1s yc-0cckk.os EL+98 unpublished  
111-trifluoropropyne CF3CCH C3F3H C 1s yf-0cckk.os HS90 unpublished  
111-trifluoropropyne CF3CCH C3F3H F 1s yf-0ffkk.os HS90 unpublished  
NNN-tritolyl isocyanurate C24H21N3O3 C24H21N3O3 C 1s YI-0CCKK.OS UA&99    
NN-di(t-butyl)ethylenediamine C10H24N2 C10H24N2 C 1s yl-0cckk.os LU+99    
NN-di(t-butyl)ethylenediamine C10H24N2 C10H24N2 N 1s yl-0nnkk.os LU+99    
trans-tetramethylcyclobutene C8H14 C8H14 C 1s yt-0cckk.os EL+98 unpublished  
Phthalocyanine C32H16N8 C32H16N8 C 1s zc-0cckk.os RSH93 unpublished  
iron-phthalocyanine Fe-C32H16N8 C32H16N8Fe C 1s zf-0cckk.os RSH93 unpublished  
nickel-phthalocyanine Ni-C32H16N8 C32H16NiN8 C 1s zn-0cckk.os RSH93 unpublished  
nickel-phthalocyanine Ni-C32H16N8 C32H16NiN8 N 1s zn-0nnkk.os RSH93 unpublished  
zinc-phthalocyanine Zn-C32H16N8 C32H16N8Zn C 1s zz-0cckk.os RSH93 unpublished  

 

REFERENCES

Corex code

Yyyynn& code

 reference
H19 2019H A.P. Hitchcock (2019) unpublishd. (CCl2F2, C2F2H4 ? C1s, F1s, Cl2p)
AHG93 1993AHG E. Apen, A.P. Hitchcock and J.L. Gland, Experimental Studies of the Core Excitation of Imidazole, 4,5 Dicyanoimidazole and s-Triazine, J. Phys. Chem. 97 (1993) 6859-6866.
BH87 1987BH S. Bodeur and A.P. Hitchcock, Inner and Valence Shell Excitation of SF4 Studied by Photoabsorption and Electron Energy Loss Spectroscopy, Chem. Phys. 111 (1987) 467-479.
CG04 2004 G& G. Cooper, M. Gordon, D.Tulumello, C.C. Turci, K. Kaznatcheev and A.P. Hitchcock, Inner shell excitation of glycine, glycyl-glycine, alanine and phenylalanine, J. Electron Spectroscopy 137-140 (2004) 795-799.
CH07 2007CH G. Cooper and A.P. Hitchcock, (2007) unpublished. (7H8, C10H8 C1s)
     
DG&86 1986DG& J.P. Doering, A. Gedanken, A.P. Hitchcock, P. Fischer, J. Moore, J.K. Olthoff, J. Tossell, K. Raghavachari and M.B. Robin, Electronic Excitation and ??Electron Interaction in Borazine, J. Am. Chem. Soc. 108 (1986) 3602?3608.
DTH90 1990DTH C. Dezarnaud, M. Tronc and A.P. Hitchcock, Inner Shell Spectroscopy of the-Carbon-Sulfur bond, Chemical Physics 142 (1990) 455-462.
EA&91 1991EA& F.J. Esposto, P. Aebi, T. Tyliszczak, A.P. Hitchcock, M. Kasrai, J.D. Bozek, T.E. Jackman and S.R. Rolfe, Boron K-shell spectroscopy of boron-doped silicon, J. Vac. Sci. Tech. A 9 (1991) 1663-1669
EH+98 1998EH& I.G. Eustatiu, B. Huo, S.G. Urquhart and A.P. Hitchcock, Isomeric Sensitivity of the C 1s spectra of xylenes, J. Electron Spectrosc. 94( 1998) 243-252.
EL+98 1998EL& L.E. Ennis, J.F. Lehmann, A.P Hitchcock, B. Cook and W.J. Leigh, (1998) unpublished. (C6H10, C8H14 - C1s)
EU&98 1998EU&b L.E. Ennis, S.G. Uruquhart and A.P Hitchcock, (1998) unpublished. (C2H6O2,C3H8O2 - C1s, O1s)
EUH98 1998EU&c L.E. Ennis, S.G. Uruquhart and A.P Hitchcock, (1998) unpublished. (C2H6O2,C3H8O2 - C1s, O1s)
FH15   Not in BIB-16 (Francis& Hitchcock ??)
FH92 1992FH J.T. Francis and A.P. Hitchcock, Inner-shell Spectroscopy of p-Benzoquinone, 1,3-cyclohexandione, p-Hydroxyquinone and Phenol: Quinoid versus Aromaticity as Viewed by the Unoccupied Orbitals, J. Phys. Chem. 96 (1992) 6598-6610.
FH94 1994FH J.T. Francis and A.P. Hitchcock, Distinguishing Keto and Enol Structures by Inner-shell Spectroscopy, J. Phys. Chem. 98 (1994) 3650-3657
FT+95 1995FT& J.T. Francis, C.C. Turci, T. Tyliszczak, G.G.B. de Souza, N. Kosugi and A.P. Hitchcock, Electron impact core excitation of SF6: Part I: S 2p, S 2s and F 1s spectroscopy, Phys. Rev. A 52 (1995) 4665-4677.
GC&03 2003GC& M.L. Gordon, G. Cooper, C. Morin, T. Araki, C.C. Turci, K. Kaznatcheev, and A. P. Hitchcock, Inner shell spectroscopy of the peptide bond: comparison of the C 1s, N 1s and O 1s spectra of glycine, glycyl-glycine and glycyl-glycyl-glycine, J. Phys. Chem A 107 (2003) 6144-6159.
     
GC&04 2004CG& G. Cooper, M. Gordon, D.Tulumello, C.C. Turci, K. Kaznatcheev and A.P. Hitchcock, Inner shell excitation of glycine, glycyl-glycine, alanine and phenylalanine, J. Electron Spectroscopy 137-140 (2004) 795-799
GH01 2001GH M.L. Gordon and A.P. Hitchcock, unpublished (C3H6NO2, C8H9NO2 - C1s, N1s, O1s
     
GT&03 2003GT& M.L. Gordon, D.Tulumello, G. Cooper, A.P. Hitchcock, P. Glatzel, S.P. Cramer, O.C. Mullins and U.. Bergmann, Inner shell excitation spectroscopy of fused aromatic molecules by electron energy loss and X-ray Raman techniques, J. Phys. Chem. A 107 (2003) 8512-8520
H13 2013H Not in BIB-16
    A.P. Hitchcock, unpublished ( C2ClF3 ? Cl2p, C1s, F1s) - CHECK
H14 2014H Ethylene (ed) should be MC&87
H90a 1990H A.P. Hitchcock, Core Excitation and Ionization of Molecules, Physica Scripta T31 (1990) 159-170.
H91 2091H A.P. Hitchcock, unpublished) (C6H6, C6H8, 1,4-C6H10, 1,3-C6H10, C6H12-C1s) (see also HR89)
H92a 2092H A.P. Hitchcock, unpublished. (C2Cl3H, C2Cl2H4 - C1s, Cl2p; C7H5N - C1s, N1s; NO - N1s)
HB77 1977HB A.P. Hitchcock and C.E. Brion, Carbon K?Shell Excitation of C2H2, C2H4, C2H6 and C6H6 by 2.5 KeV Electron Impact, J. Electron Spectroscopy 10 (1977) 317?330.
HB78c 1978HB A.P. Hitchcock and C.E. Brion, Inner Shell Excitation of SF6 by 2.5 keV Electron Impact, Chemical Physics 33 (1978) 55?64.
HB80a 1980HBa A.P. Hitchcock and C.E. Brion, K?Shell Excitation Spectra of CO, N2 and O2, J. Electron Spectroscopy 18 (1980) 1?21.
     
HB80c 1980HBb A.P. Hitchcock and C.E. Brion, Neon K?Shell Excitation by Electron Energy Loss Spectroscopy, J. Phys. B: Atomic and Molecular Physics 13 (1980) 3269?3273.
HB&84 1984HB& A.P. Hitchcock, S. Beaulieu, T. Steel, J. St”hr and F. Sette, Carbon K?Shell Electron Energy Loss Spectra of 1? and 2?Butenes, trans?1,3?Butadiene and Perfluoro?2?Butene, J. Chem. Phys. 80 (1984) 3927?3935.
HD&91 1991HD& A.P. Hitchcock, R.S. DeWitte, J. Van Esbroeck, P. Aebi, C.L. French, N.P.C. Westwood and R.T. Oakley, A valence and inner-shell electronic and photoelectron spectroscopy study of the frontier orbitals of 2,1,3-Benzothiadiazole C6H4SN2, 1,3,2,4-benzodithiadiazepine C6H4S2N2 and 1,3,5,2,4-benzotrithiadiazepine C6H4S3N2, J. Electron Spectroscopy 57 (1991) 165-187.
HF&87 1987HF& A.P. Hitchcock, P. Fischer, A. Gedanken and M.B. Robin, Antibonding s* Valence MO's in the Inner-Shell and Outer-Shell Spectra of the Fluorobenzenes, J. Phys. Chem. 91 (1987) 531-540.
HF&93 1993HF& A.P. Hitchcock, J.T. Francis, S.G. Urquhart, W. Leigh, E. Ruhl and N. Kosugi, unpublished. (O2 - O1s singlet excited state)
HF15 2015HF A.P. Hitchcock and ???, unpublished (NO ? N1s, O1s ? rerun as earlier were wrong)
HH+98 1998HH& C.W. Hutchings, A.P. Hitchcock, A.T. Wen, S-D. Hwang, J.A. Glass, J T. Spencer, Y.-F. Hu, G.M. Bancroft and P.A. Dowben, Valence Band Photoemission and Near Edge Core Excitation Spectroscopy of Di-t-butylchlorophosphine, J. Electron Spectrosc. 94 (1998) 187-194.
HH13    
HH14    
HI87 1987HI A.P. Hitchcock and I. Ishii, Carbon K?Shell Excitation Spectra of Linear and Branched Alkanes, J. Electron Spectrosc. 42 (1987) 11?26.
HI88a 1988HI A.P. Hitchcock and I. Ishii, unpublished. (C5H8O-C1s,O1s; C10H16 (adamantine)-C1s; C10F16-C1s,F1s (perfluoro-adamantine); CH3CCH, C10H22O-C1s (decyl alcohol), C5H10O - tetrahydropyran)
     
HIR89 1989HIR A.P. Hitchcock, I. Ishii and M.B. Robin, unpublished (N2H4-N1s; N2F4 - N1s, F1s; CF3NO-C1s,N1s, O1s,F1s)
HLD91 1991HLD A.P. Hitchcock, S. Lee and P.T. Dowben, (1991) unpublished. (B5C19FeH17O2P, B5C12H18P - B1s, C1s, Fe2p,3p, P2p)
     
HM&93 1993HM& A.P. Hitchcock, M.J. McGlinchey, A.L. Johnson, W.K. Walter, M. Perez Jigato, D.A. King, D.L. Norman, E. Rhl, C. Heinzel, H. Baumg„rtel, Inner-shell Excitation of Solid and Gaseous Alkylidyne Tricobalt Nonacarbonyl Complexes: An Investigation of the Spectral Dependence on Sample Phase, Excitation Probe and Detection Scheme, Trans. Faraday Soc. 89 (1993) 3331-3345.
     
HN&86 1986HN& A.P. Hitchcock, D.C. Newbury, I. Ishii, J. St”hr, J.A. Horsley, R.D. Redwing, A.L. Johnson and F. Sette, Carbon K?shell Excitation of Gaseous and Condensed Cyclic Hydrocarbons: C3H6, C4H8, C5H8, C5H10, C6H10, C6H12 and C8H8, J. Chem. Phys. 85 (1986) 4849?4862.
HN86 1986HN A.P. Hitchcock and D.C. Newbury, (1986) unpublished. (CHF3 - C1s, F1s)
HU+96 1997HU& A.P. Hitchcock, S.G. Urquhart, A.T. Wen, A.L.D. Kilcoyne, T. Tyliszczak, E. Rhl, N. Kosugi, J.D. Bozek, J.T. Spencer, D.N. McIlroy and P.A. Dowben, Inner?shell excitation spectroscopy of closo-carboranes, J. Phys. Chem.B 101 (1997) 3483-3493.
HR89 & H91 1989HR A.P. Hitchcock and E. Rhl, ?Near Edge Spectroscopy of Free Molecules?, Proc. XAFS 5, Physica B 158 (1989) 403-404
HS&84 FIXED in the 2 FY files Unpublished (perfluoro-butyne
    ACTUALLY should be HB&84 !!
HS&85 1985HS& A. Horsley, J. St”hr, A.P. Hitchcock, D.C. Newbury, A.L. Johnson and F. Sette, Resonances in the K?shell Excitation Spectra of Benzene and Pyridine: Gas Phase, Solid and Chemisorbed States, J. Chem. Phys. 83 (1985) 6099?6107.
HS90 1990HS A.P. Hitchcock and J. St”hr, unpublished. (C3H4, C3H6, C3F3H, C2F3N, C6H6, C7H8 - C1s; C8H12Si - C1s, Si2p)
     
HS92 1992HD A.P. Hitchcock and D. Sutton, unpublished. (C12H15N2O2Re - Cp*Re(CO)2N2 - C1s, N1s, O1s, Re4f)
HT&89 1989HW& A.P. Hitchcock, G.P. Williams, R Garrett and G. Tourillon, C 1s Excitation of Azulene and poly-Azulene Studied by Electron Energy-loss and X-ray Absorption Spectroscopy, J. Phys. Chem. 93 (1989) 7624-7628.
HT&90 1990HT& A.P. Hitchcock, G. Tourillon, R. Garrett, G.P. Williams, C. Mahatsekake and C. Andrieu, Inner-shell Excitation of 3-Alkyl Thiophenes by Electron Energy Loss and X-ray Photoabsorption Spectroscopy, J. Phys. Chem. 94 (1990) 2327-2333
HTB89 1989HTB A.P. Hitchcock, G. Tourillon and W. Braun, Inner-shell Excitation Studies of Conducting Organic Polymers: Selenophene, 3-methyl Selenophene and Their Polymers, Canadian Journal of Chemistry 67 (1989) 1819-1826.
HTM89 1989HTM A.P. Hitchcock, M. Tronc and A. Modelli, Electron Transmission and Inner-shell Electron Energy Loss Spectroscopy of CH3CN, CH3NC, CH3SCN and CH3NCS, J. Phys. Chem. 93 (1989) 3068-3077.
HUR92 1992HUR A.P. Hitchcock, S.G. Urquhart and E.G. Rightor, Inner-shell Excitation Studies of Poly(ethyleneterephthalate) and Related Small Molecule Analogues by Electron Energy Loss Spectroscopy, J. Phys. Chem. 96 (1992) 8736-8750.
     
HW&91 1991HW& A.P. Hitchcock, A.T. Wen, S.G. Urquhart and E. Rightor, (1991) unpublished (C3H6O3, C12H10O3 - C1s,O1s)
HW&93 1993HW& A.P. Hitchcock, A.T. Wen, S. Lee, J.A. Glass, Jr., J.T. Spencer and P.A. Dowben, Inner-shell Excitation of Boranes and Carboranes, J. Phys. Chem. 97 (1993) 8171-8181.
HWR89 1989HWR A.P. Hitchcock, A.T. Wen and E. Ruhl, (1989) unpublished. (M(Cp)2 - V,Cr,Mn - C1s)
IH87 1987IH I. Ishii and A.P. Hitchcock, A Quantitative Experimental Study of the Core Excited Electronic States in Formamide, Formic Acid and Formyl Fluoride, J. Chem. Phys. 87 (1987) 830?839.
IH88 1988IH I. Ishii and A.P. Hitchcock, The Oscillator Strengths for Cls and Ols Excitation of Some Saturated and Unsaturated Organic Acids, Alcohols and Esters, J. Electron Spectrosc. 46 (1988) 55-84.
IM&88 1988IM& I. Ishii, R. McLaren, A.P. Hitchcock, K.D. Jordan, H. Choi and M.B. Robin, The ?* Molecular Orbitals of Perfluoroalkanes as Studied by Inner Shell Electron Energy Loss and Electron Transmission Spectroscopies, Can. J. Chem. 66 (1988) 2104-2121.
JS&08 2008JS& H. Jiang, J. Stewart-Ornstein, G. Cooper and A.P. Hitchcock, Inner Shell Excitation Spectroscopy of Amino Acids and Peptides: Part I - Selected Amino Acids, J. Phys. Chem A (in preparation)
HI87 1987HI A.P. Hitchcock and I. Ishii, Carbon K?Shell Excitation Spectra of Linear and Branched Alkanes, J. Electron Spectrosc. 42 (1987) 11?26
LU&99 1999LU&a J.F. Lehmann, L. Ennis, A.P. Hitchcock, S.G. Urquhart, K. Hatano, S. Gupta and M.K. Denk, Organometallics 18 (1999) 1862. (C10GeH20N2, C10GeH22N2, C10GeH24N2 ? C1s, Ge3p, N1s; C10H20N2Si, C10H22N2Si, C10H24N2Si ? C1s, N1s, Si1s; C10H20N2, C10H22N2, C11H22N2, C11H22N2, C11H24N2, C11H24N2 ? C1s, N1s)
LU+99 1999LU&b J.F. Lehmann, S.G. Urquhart, L. Ennis, A.P. Hitchcock, K. Hatano, S. Gupta and M.K. Denk, Core Excitation Spectroscopy Study of Delocalization in Stable Cyclic Diamino Carbenes, Silylenes and Germylenes, Organometallics 18 (1999) 1862-1872.
LUH99 1999LUH R. Lessard, S.G. Urquhart and A.P. Hitchcock, (1999) unpublished. (C8H6, C29H20O - C1s) CHECK for pyrocarbonate
     
LUH97 1997LUH L.F. Lehmann, S.G. Urquhart and A.P. Hitchcock, (1997) unpublished. (C7H12O2, C9H8O2, C14H10O3, C15H24O - C1s, O1s)
     
LUH99 199LUH R. Lessard, S.G. Urquhart and A.P. Hitchcock, (1999) unpublished. (C8H6, C29H20O - C1s)
MC&87 1987MC& R. McLaren, S.A.C. Clark, I. Ishii and A.P. Hitchcock, Absolute Oscillator Strength from K?shell Electron Energy Loss Spectra of the Fluoroethenes and 1,2?perfluorobutadiene, Phys. Rev. A 36 (1987) 1683-1701.
MH&89 1989MH& P. Millie, A.P. Hitchcock, S. Bodeur and I. Nenner (1989) unpublished. (CO2, COS, CS2 - C1s, S2p, S1s, O1s)
MI&87 1987IM& I. Ishii, R. McLaren, A.P. Hitchcock and M.B. Robin, Inner?Shell Excitations in Weak Bond Molecules, J. Chem. Phys. 87 (1987) 4344-4360.
NIH86 1986NIH D.C. Newbury, I. Ishii and A.P. Hitchcock, Inner Shell Electron Energy Loss Spectroscopy of Some Heterocyclic Molecules, Can. J. Chem. 64 (1986) 1145?1155.
RH89 1989RH E. Rhl and A.P. Hitchcock, Carbon K-shell Excitation of Metallocenes, J. Am. Chem. Soc. 111 (1989) 5069-5075.
RH91 1991RH E. Rhl and A. P. Hitchcock, Oxygen K-shell Spectroscopy of Hydrogen Peroxide, Chem. Phys. 154 (1991) 323-329.
RI&88 1988RI& M.B. Robin, I. Ishii, R. McLaren and A.P. Hitchcock, Fluorination Effects on the Inner?shell Spectra of Unsaturated Molecules, J. Electron Spectrosc. 47 (1988) 53-92.
RI&88 1990H A.P. Hitchcock, Core Excitation and Ionization of Molecules, Physica Scripta T31 (1990) 159-170.
H90 1990H A.P. Hitchcock, Core Excitation and Ionization of Molecules, Physica Scripta T31 (1990) 159-170.
RSH93 1993RSH M.L.M. Rocco, G.G.B. de Souza and A.P. Hitchcock, (1993) unpublished. (C32H16N8, C32H16N8Fe, C32H16N8Ni, C32H16N8Zn - C1s; C32H16N8Ni - N1s)
     
RUH95 1995RUH E. Rhl, S.G. Urquhart and A.P. Hitchcock, (1995) unpublished. (C6H12N2 - C1s, N1s)
RWH91 1991RWH E. Rhl, A. T. Wen, and A. P. Hitchcock, Inner-shell excitation of h5-C5H5Co(CO)2 and related compounds studied by electron energy loss spectroscopy, J. Electron Spectroscopy 57 (1991) 137-164.
SF 1983HGD B.L. Henke, E.M. Gullikson, and J.C. Davis. X-ray interactions: photoabsorption, scattering, transmission, and reflection at E=50-30000 eV, Z=1-92, Atomic Data and Nuclear Data Tables 54 (1983) 181-342
TC&02 2002TC& D. Tulumello, G. Cooper, E. Halliday and A.P. Hitchcock, (2002) unpublished. (C5H14OSi, C8H12O3Si, C8H18O3Si - C1s, O1s, Si2p)
TUH 96 1996TUH C.C. Turci, S.G. Urquhart and A.P. Hitchcock, Inner-shell Spectra of aniline, nitrobenzene and the nitroanilines, Can. J. Chem. 74 (1996) 851-869.
UA&99 1999UA& S.G. Urquhart, H. Ade, A.P. Smith, L.E. Ennis, J.F. Lehmann and A.P. Hitchcock, (1999) unpublished. (C4H7O4 - C1s, O1s; C2H5N3O2, C6H9N3O3 , C21H15N3O3 , C24H21N3O3 - C1s, O1s, N1s)
     
UH&95b 1995UH& .G. Urquhart, A.P. Hitchcock, R.D. Priester and E.G. Rightor, Analysis of Polyurethanes using Core Excitation Spectroscopy. Part II. Inner-shell Spectra of Ether, Urea and Carbamate Model Compounds, J. Polymer Science B: Polymer Physics, 33 (1995) 1603-1620.
UH&99 199UH& S.G. Urquhart, A.P. Hitchcock, R. Lessard, E.G. Rightor and G.E. Mitchell, (1999) unpublished (C4H8N2O3, C4H8N2O3 - C1s, N1s, O1s)
UH+94b 1994UH&b S.G. Urquhart and A.P. Hitchcock, (1994) unpublished. (C5H15NSi, C7H18N2Si, C6H18N3Si, C7H21N2Si, C8H24N4Si, C9H21NSi3 - Si2p, C1s, N1s, Si1s)
     
UH+97a 1997UH& S.G. Urquhart, A.P. Hitchcock, A.P. Smith, H. Ade and E.G. Rightor, Inner-shell Excitation Spectroscopy of polymer and monomer forms of dimethyl phthalate, J. Phys. Chem. B 101 (1997) 2267?2276.
UH+98 1998UH& S.G. Urquhart, A.P. Hitchcock, J.F. Lehmann and M. Denk, Probing Delocalization in Stable Silylenes: Core Excitation Spectra of Si(NRCH=CHNR), Si(NRCH2CH2NR), H2Si(NRCH=CHNR) and H2Si(NRCH2CH2NR) (R = tBu), Organometallics 17 (1998) 2352-2360.
UH94b 1994UH S.G. Urquhart and A.P. Hitchcock, (1994) unpublished. (C5H15NSi, C7H18N2Si, C6H18N3Si, C7H21N2Si, C8H24N4Si, C9H21NSi3 - Si2p, C1s, N1s, Si1s)
     
UH96 1996UH S.G. Urquhart and A.P. Hitchcock, (1996) unpublished. (C7H9N - 1s, N1s; C10H6F4 - C1s)
UHR97 1997UHR S.G. Urquhart and A.P. Hitchcock, (1996) unpublished. (C7H8O ? C1s, O1s)
UHR92 1994UHR S.G. Urquhart, A.P. Hitchcock and E.G. Rightor, (1994) unpublished. (C6H14O, C21H15N3O3 - C1s, N1s, O1s)
UHR92 1995UH& S.G. Urquhart, A.P. Hitchcock, R.D. Priester and E.G. Rightor, Analysis of Polyurethanes using Core Excitation Spectroscopy. Part II. Inner-shell Spectra of Ether, Urea and Carbamate Model Compounds, J. Polymer Science B: Polymer Physics, 33 (1995) 1603-1620.
UHR95 1995UHR S.G. Urquhart, A.P. Hitchcock and E.G. Rightor, (1992) unpublished. (C5H14O -C1s, O1s; C9H6N2O2 , C13H17N2O4 , C19H22N2O4 - C1s, N1s, O1s)
     
UHR95 1995UH& S.G. Urquhart, A.P. Hitchcock, R.D. Priester and E.G. Rightor, Analysis of Polyurethanes using Core Excitation Spectroscopy. Part II. Inner-shell Spectra of Ether, Urea and Carbamate Model Compounds, J. Polymer Science B: Polymer Physics, 33 (1995) 1603-1620.
UHR99   S.G. Urquhart, A.P. Hitchcock and E.G. Rightor, (1999) unpublished. (C11H14N2O4, 2,4-C9H6N2O2 ,2,6-C9H6N2O2 - C1s, N1s, O1s)
     
XX04 2004XX (operators unknown) (2004) unpublished (C16H19N4O2 ? C1s, N1s, O1s
UH98 1998UH S.G. Urquhart and A.P. Hitchcock, (1998) unpublished. (C10H12N ? C1s, N1s)
     
UT+97 1997UT& S.G. Urquhart, C.C. Turci, T. Tyliszczak, M.A. Brook and A.P. Hitchcock, Core excitation spectroscopy of phenyl- and methyl-substituted silanol, disiloxane and disilane compounds: Evidence for ?-Delocalisation across the Si-Cphenyl Bond. Organometallics 16, (1997) 2080-2088.
UX+94 1994UX& S.G. Urquhart, J.Z. Xiong, A.T. Wen, T.K. Sham, K.M. Baines, G.G.B. de Souza and A.P. Hitchcock, Inner-shell Spectroscopy of compounds containing Si-Si bonds: Is there a localised, low-energy Si-Si resonance?, Chem. Phys. 189 (1994) 757-768
W92 1992W A.T. Wen, Core Excitation of Some Organometallic and OrganoSilicon Molecules, McMaster PhD thesis, 1992
WH&90 1990WH& A.T. Wen, A.P. Hitchcock, N.H. Werstiuk, N. Nguyen and W.J. Leigh, Studies of the Electronic Excited States of Substituted Norbornenes by UV Absorption, Electron Energy Loss and HeI Photoelectron Spectroscopy, Can. J. Chem. 68 (1990) 1967-1973.
WH90 1990WH A.T. Wen and A.P. Hitchcock, (1990) unpublished. (C2HCl3 - C1s, Cl2p)
WH93 1993WH A.T. Wen and A.P. Hitchcock, Inner-shell Spectroscopy of (?5-C5H5)2TiCl2, (?5-C5H5)TiCl3, and TiCl4, Can. J. Chem. 71 (1993) 1632-1644.
WHR92 1992WHR A.T. Wen, A.P. Hitchcock and E. Ruhl, (1992) unpublished. (BzCr(CO)3, CrBz2, CH3-BzCr(CO)3 - C1s, Cr2p,3p, O1s; C9H5O4V - V2p, C1s, O1s)
     
WRH89 1989WHR A.T. Wen, E. Ruhl and A.P. Hitchcock, (1989) unpublished. (C13H20MnO -C1s, O1s, Mn2p, Mn3p; C10Cl2H10V, C10H10Mg ? C1s)
     
 
 

 

 

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