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

Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides:  Surprisingly Demanding Targets for High-Level ab Initio Procedures

2003 ◽  
Vol 107 (29) ◽  
pp. 5617-5630 ◽  
Author(s):  
Michael B. Sullivan ◽  
Mark A. Iron ◽  
Paul C. Redfern ◽  
Jan M. L. Martin ◽  
Larry A. Curtiss ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Metal Oxides ◽  
Ab Initio ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Heats Of Formation ◽  
Alkaline Earth Metal ◽  
Alkaline Earth Metal Oxides ◽  
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
Sign in / Sign up

Export Citation Format

Share Document