Ab Initio Calculations of the Potential Surfaces for the Lowest Singlet and Triplet States of 2,2-Difluorocyclopentane-1,3-diyl. The singlet Diradical Lies Below the Triplet

1994 ◽  
Vol 116 (12) ◽  
pp. 5425-5427 ◽  
Author(s):  
Jing Dong Xu ◽  
David A. Hrovat ◽  
Weston Thatcher Borden
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Triplet States ◽  
Potential Surfaces ◽  
Singlet And Triplet States

An ab initio study on some low-lying singlet and triplet states of SbO2+ and quartet states of SbO2

2006 ◽  
Vol 429 (4-6) ◽  
pp. 365-370 ◽  
Author(s):  
Edmond P.F. Lee ◽  
John M. Dyke ◽  
Foo-tim Chau ◽  
Wan-ki Chow ◽  
Daniel K.W. Mok
Keyword(s):  
Ab Initio ◽  
Triplet States ◽  
Ab Initio Study ◽  
Singlet And Triplet States

scholarly journals Ab initio calculations on vibronic coupling in the lower triplet states of pyrimidine

1992 ◽  
Vol 114 (24) ◽  
pp. 9544-9551 ◽  
Author(s):  
W. J. Buma ◽  
M. C. J. M. Donckers ◽  
E. J. J. Groenen
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vibronic Coupling ◽  
Triplet States

Ab-initio Calculation on Methylnitrenium Ion (CH3NH)+

1974 ◽  
Vol 29 (5) ◽  
pp. 832 ◽  
Author(s):  
R. Gunde ◽  
A. Ažman
Keyword(s):  
Triplet State ◽  
Ab Initio ◽  
Ground State ◽  
Ab Initio Calculation ◽  
Triplet States ◽  
Singlet And Triplet States

Abstract Ab initio calculation were carried out on the singlet and triplet states of the methylnitrenium ion. The triplet state is the ground state for all values of angle at nitrogen.

Sign in / Sign up

Export Citation Format

Share Document