Electron structure of allene ab initio in the ground and excited states 1A1 and 1Ag

1973 ◽  
Vol 7 (3) ◽  
pp. 241-248
Author(s):  
Yu. A. Kruglyak ◽  
H. Preuss ◽  
R. Janoschek
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Electron Structure

Ab initio investigation of the electron structure in bis-Cu+ acetylene and vinylidene complexes

1986 ◽  
Vol 31 (1) ◽  
pp. 167-172 ◽  
Author(s):  
N. M. Vitkovskaya ◽  
V. G. Bernshtein ◽  
F. K. Schmidt
Keyword(s):  
Ab Initio ◽  
Electron Structure ◽  
Vinylidene Complexes

Ab initio calculations on the ground and excited states of InI

2003 ◽  
Vol 101 (19) ◽  
pp. 2963-2968 ◽  
Author(s):  
WENLI ZOU ◽  
MEIRONG LIN ◽  
XINZHENG YANG ◽  
BAOZHENG ZHANG
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States

An ab initio study of the ground and low-lying excited states of KBe with the effect of inner-shell electrons

2013 ◽  
Vol 139 (7) ◽  
pp. 074305 ◽  
Author(s):  
Ke-La Xiao ◽  
Chuan-Lu Yang ◽  
Mei-Shan Wang ◽  
Xiao-Guang Ma ◽  
Wen-Wang Liu
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Study

Ab initio calculation of the ground and first excited states of the lithium dimer

2021 ◽  
Author(s):  
Jianjun Qi ◽  
Yuyao Bai ◽  
Qianqian Guo ◽  
Yong-Chang Han ◽  
Shundalau Maksim
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Calculation ◽  
Lithium Dimer

An ab initio study of the excited states of the vinoxy radical

2006 ◽  
Vol 425 (4-6) ◽  
pp. 225-228 ◽  
Author(s):  
Katarzyna Piechowska-Strumik ◽  
Marie-Christine Bacchus-Montabonel ◽  
Yvette Suzanne Tergiman ◽  
Jozef E. Sienkiewicz
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Study

Covalent Excited States of Polyenes C2nH2n+2(n= 2−8) and Polyenyl Radicals C2n-1H2n+1(n= 2−8): An Ab Initio Valence Bond Study

2008 ◽  
Vol 4 (12) ◽  
pp. 2101-2107 ◽  
Author(s):  
Junjing Gu ◽  
Yonghui Lin ◽  
Ben Ma ◽  
Wei Wu ◽  
Sason Shaik
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Valence Bond
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