Do Möbius Silabenzene and Möbius Phosphabenzene Exist? Ab Initio MO and Density Functional Study of Electrocyclic Ring-Opening Reactions of Hetero-Dewar Benzenes Containing Silicon or Phosphorus

2003 ◽  
Vol 22 (26) ◽  
pp. 5454-5462 ◽  
Author(s):  
Jebakumar Jeevanandam ◽  
E. J. Padma Malar ◽  
R. Gopalan
Keyword(s):  
Ab Initio ◽  
Ring Opening ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Ring Opening Reactions ◽  
Ab Initio Mo

Ab-initio density functional study of defect-free and defective CdO

2005 ◽  
Vol 2 (10) ◽  
pp. 3548-3551 ◽  
Author(s):  
R. Ferro ◽  
J. A. Rodríguez ◽  
M. Verstraete ◽  
V. Solomko ◽  
P. Bertrand
Keyword(s):  
Ab Initio ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Density Functional Study of the Insertion and Ring-Opening Mechanism of MCP over Cp2LaH and Cp2LuH Catalysts

2003 ◽  
Vol 125 (52) ◽  
pp. 16210-16212 ◽  
Author(s):  
Yi Luo ◽  
Parasuraman Selvam ◽  
Akira Endou ◽  
Momoji Kubo ◽  
Akira Miyamoto
Keyword(s):  
Ring Opening ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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