Spectroscopic constants of the X̃(1A1), ã(3B1), and Ã(1B1) states of CF2, CCl2, and CBr2 and heats of formation of selected halocarbenes: An ab initio quantum chemical study

2000 ◽  
Vol 112 (5) ◽  
pp. 2227-2238 ◽  
Author(s):  
Karina Sendt ◽  
George B. Bacskay
Keyword(s):  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Heats Of Formation ◽  
Spectroscopic Constants

AB initio quantum chemical study of the reaction mechanism of ethynide ion formation in the C2H2/MOH/DMSO system (M = Li, Na, K)

2009 ◽  
Vol 50 (1) ◽  
pp. 27-33 ◽  
Author(s):  
E. Yu. Larionova ◽  
N. M. Vitkovskaya ◽  
V. B. Kobychev ◽  
N. V. Kaempf ◽  
A. D. Skitnevskaya ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Ion Formation ◽  
Dmso System

Ab initio quantum-chemical study on drug decomposition in solid state preparations

1984 ◽  
Vol 109 (3-4) ◽  
pp. 177-193 ◽  
Author(s):  
P. Ruelle ◽  
Hô Nam-Tran ◽  
M. Buchmann ◽  
U.W. Kesselring
Keyword(s):  
Solid State ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study
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