An ab initio quantum chemical study of the electronic structure and stability of the pyrrolyl radical: Comparison with the isoelectronic cyclopentadienyl radical

1998 ◽  
Vol 290 (4-6) ◽  
pp. 391-398 ◽  
Author(s):  
George B Bacskay ◽  
Muhamad Martoprawiro ◽  
John C Mackie
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Structure And Stability ◽  
Cyclopentadienyl Radical

Quantum-chemical study of the relation between electronic structure and pA2 in a series of 5-substituted tryptamines

1985 ◽  
Vol 28 (4) ◽  
pp. 421-428 ◽  
Author(s):  
J. S. Gomez-Jeria ◽  
D. Morales-Lagos ◽  
J. I. Rodriguez-Gatica ◽  
J. C. Saavedra-Aguilar
Keyword(s):  
Electronic Structure ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

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
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