Untitled Document
Name Formula Alpha Formula Edge Filename Citation
Perfluorobutane C4F10 C4F10 C 1s fn-0cckk.os RI&88
Perfluorobutane C4F10 C4F10 F 1s fn-0ffkk.os RI&88
silyl triflate Me3SiOSO2CF3 C4F3H9O3SSi C 1s uh-0cckk.os UH94a
silyl triflate Me3SiOSO2CF3 C4F3H9O3SSi Si 2p uh-0sill.os UH94a
1,3- Hexafluorobutadiene CF2CF=CFCF2 C4F6 C 1s fb-0cckk.os RI&88
1,3- Hexafluorobutadiene CF2CF=CFCF2 C4F6 F 1s fb-0ffkk.os RI&88
Perfluoro-2-butyne (Matheson) CF3CCCF3 C4F6 C 1s fy-0cckk.os HS&84
Perfluoro-2-butyne (Matheson) CF3CCCF3 C4F6 F 1s fy-0ffkk.os HS&84
perfluoro-2-butene CF3CF=CFCF3 C4F8 C 1s ft-0cckk.os RI&88
perfluoro-2-butene CF3CF=CFCF3 C4F8 F 1s ft-0ffkk.os RI&88
per-Fluoro-Cyclobutane c-C4F8 C4F8 C 1s fc-0cckk.os RI&88
per-Fluoro-Cyclobutane c-C4F8 C4F8 F 1s fc-0ffkk.os IM&88
Isobutane CH3CH(CH3)CH3 C4H10 C 1s ib-0cckk.os HI87
n-Butane C4H10 C4H10 C 1s ba-0cckk.os HI&87
Diethylether (C2H5)2O C4H10O C 1s de-0cckk.os UH&95b
Diethylether (C2H5)2O C4H10O O 1s de-0ookk.os UH&95b
t-Butyl alcohol C4H9OH C4H10O C 1s tl-0cckk.os MI&87
t-Butyl alcohol C4H9OH C4H10O O 1s tl-0ookk.os MI&87
trimethylmethoxy silane Me3SiOMe C4H12OSi C 1s ua-0cckk.os UT+97
trimethylmethoxy silane Me3SiOMe C4H12OSi O 1s ua-0ookk.os UT+97
trimethylmethoxy silane Me3SiOMe C4H12OSi Si 2p ua-0sill.os UT+97
tetramethylsilane Me4Si C4H12Si C 1s ui-0cckk.os UX+94
tetramethylsilane Me4Si C4H12Si Si 2p ui-0sill.os UX+94
Thiophene(atl.code-`C4H4S',`THI') c-C4H4S C4H4S C 1s ta-0cckk.os HN&86
Thiophene(atl.code-`C4H4S',`THI') c-C4H4S C4H4S S 1s ta-0ssl3.os HN&86
Selenophene c-SeC4H4 C4H4Se C 1s se-0cckk.os HTB89
Selenophene c-SeC4H4 C4H4Se Se 3d,3p se-0sem5.os HTB89
Pyrrole c-C4H5N C4H5N C 1s po-0cckk.os NIH86
Pyrrole c-C4H5N C4H5N N 1s po-0nnkk.os NIH86
2-Butyne CH3C:::CCH3 C4H6 C 1s by-0cckk.os RI&88
Acetic Anhydride ME(CO)O(CO)ME C4H6O3 C1s ko-0cckk.os  
Acetic Anhydride ME(CO)O(CO)ME C4H6O3 O1s ko-0ookk.os  
Dimethyl Pyrocarbonate ME(O)CO(O)CO(O)ME C4H6O5 O1s kl-0cckk.os  
dimethyl pyrocarbonate MeO-CO-O-CO-OMe C4H6O5 C 1s kl-0ookk.os  
Diacetimide ME(CO)NH(CO)ME C4H7N02 C1s kn-0cckk.os  
Diacetimide ME(CO)NH(CO)ME C4H7N02 N1s kn-0nnkk.os  
Diacetimide ME(CO)NH(CO)ME C4H7N02 O1s kn-0ookk.os  
Butadiene CH2=CHCH=CH2 C4H8 C 1s bt-0cckk.os MC&87
Cyclobutane c-C4H8 C4H8 C 1s cb-0cckk.os HN&86
Ethyl allophanate NH2CONHCOOC2H5 C4H8N2O3   ep-0cckk.os  
Ethyl allophanate NH2CONHCOOC2H5 C4H8N2O3 N 1s ep-0nnkk.os  
Ethyl allophanate NH2CONHCOOC2H5 C4H8N2O3   ep-0ookk.os  
Tetrahydrofuran c-C4H8O C4H8O C 1s tk-0cckk.os NIH86
Tetrahydrofuran c-C4H8O C4H8O O 1s tk-0ookk.os NIH86
Pyrrolidine c-C4H9N C4H9N C 1s pq-0cckk.os NIH86
Pyrrolidine c-C4H9N C4H9N N 1s pq-0nnkk.os NIH86