High level ab initio study of singlet and triplet cyclopropene and diazocyclopropene carbenes stability in comparison with stability of singlet and triple cyclopropenyl cation and anion

1999 ◽  
Vol 491 (1-3) ◽  
pp. 33-40 ◽  
Author(s):  
B.S Jursic
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
High Level

Heats of Formation of 1,3,5,7-Cyclooctatetraene and Bicyclo[4.2.0]octa-2,4,7-triene. A High-Level ab Initio Study

1998 ◽  
Vol 102 (26) ◽  
pp. 4949-4951 ◽  
Author(s):  
O. Castaño ◽  
R. Notario ◽  
R. Gomperts ◽  
J.-L. M. Abboud ◽  
R. Palmeiro ◽  
...  
Keyword(s):  
Ab Initio ◽  
Heats Of Formation ◽  
Ab Initio Study ◽  
High Level

High Level ab Initio Study of Thermal 1,3-Sigmatropic Shift in CH2CHCH2X with X = BH2, NH2, and CH3

2002 ◽  
Vol 106 (23) ◽  
pp. 5709-5715 ◽  
Author(s):  
Jun Yong Choi ◽  
Chang Kon Kim ◽  
Chan Kyung Kim ◽  
Ikchoon Lee
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Sigmatropic Shift ◽  
High Level

New insight on the mechanism of 2-oxabicyclobutane fragmentation. A high-level ab initio study

Tetrahedron ◽  
2001 ◽  
Vol 57 (8) ◽  
pp. 1509-1513 ◽  
Author(s):  
Sergiy Okovytyy ◽  
Leonid Gorb ◽  
Jerzy Leszczynski
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
High Level
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