Core Excitation Data Base

Gas Phase Core Excitation Database

generated 11-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Hexaphenyldisilane	(C6H5)6Si2	C36H30Si2	C1s	a1-0cckk.os	HH13	Hitchcock (unpublished)
Hexaphenyldisilane	(C6H5)6Si2	C36H30Si2	C1s	a1-0sill.os	HH13	Hitchcock (unpublished)
Hexaphenyldisilane	(C6H5)6Si2	C36H30Si2	C1s	a1-1cckk.os	HH13	Hitchcock (unpublished)
Hexaphenyldisilane	(C6H5)6Si2	C36H30Si2	Si 2p	a1-1sill.os	HH13	Hitchcock (unpublished)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Perfluoroadamantine	C10F16	C10F16	C 1s	ad-0cckk.os	HI88a	Hitchcock (unpublished)
Perfluoroadamantine	C10F16	C10F16	F 1s	ad-0ffkk.os	HI88a	Hitchcock (unpublished)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	HI&87	J. El Spec. 42 (87) 11.
m-carborane	B9C2H11	B10C2H12	B 1s	bc-0bbkk.os	HR+96	J. Phys. Chem. B. 101 (1996) 3483.
m-carborane	B9C2H11	B10C2H12	C 1s	bc-0cckk.os	HR+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	HU&92	J. Phys. Chem. 96 (92) 8736
Benzaldehyde	C6H5CHO	C7H6O	O 1s	bn-0ookk.os	HU&92	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	CCF2H5	C 1s	ck-0cckk.os	19	Hitchcock (unpublished)
11-difluoro-ethane	CH3CF2H	CCF2H5	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	HS&84	Rev. Sci. Inst. 55 (84) 696.
Perfluoro-2-butyne (Matheson)	CF3CCCF3	C4F6	F 1s	fy-0ffkk.os	HS&84	Rev. Sci. Inst. 55 (84) 696.
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	LUH03
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	UP
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	KH08	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 (90) 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	HR+96	J. Phys. Chem. B. 101 (1996) 3483.
paracarborane	p-C2B10H12	B10C2H12	C 1s	ul-0cckk.os	HR+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	UH97	unpublished
anisole	Ph-O-Me	C7H8O	O 1s	vl-0ookk.os	UH97	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	RSH92	unpublished