Theoretical Molecular Orbital Study on the Role of Transition-Metal d Orbitals in Chemisorption of Acetylene

1983 ◽  
Vol 87 (7) ◽  
pp. 1140-1145 ◽  
Author(s):  
Hisayoshi Kobayashi ◽  
Satohiro Yoshida ◽  
Masaru Yamaguchi
Keyword(s):  
Transition Metal ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study ◽  
D Orbitals

Molecular orbital study of heterometallic M3C2 organo-transition-metal clusters: orientation of the alkyne moiety

1985 ◽  
Vol 24 (2) ◽  
pp. 218-224 ◽  
Author(s):  
Jean Francois Halet ◽  
Jean Yves Saillard ◽  
Roland Lissillour ◽  
Michael J. McGlinchey ◽  
Gerard Jaouen
Keyword(s):  
Transition Metal ◽  
Molecular Orbital ◽  
Metal Clusters ◽  
Transition Metal Clusters ◽  
Molecular Orbital Study ◽  
Orbital Study

The Role of Ylides in the Chlorination of Unsymmetrical Sulfides: An Ab Initio Molecular Orbital Study

2005 ◽  
Vol 58 (2) ◽  
pp. 143
Author(s):  
Michael Potvin ◽  
Belquis Mothana ◽  
Laura Albrecht ◽  
Katherine Valenta Darvesh ◽  
Richard F. Langler
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Organic Sulfides ◽  
Molecular Orbital Study ◽  
Orbital Study

Ab initio molecular orbital theory has been used to investigate a series of possible chlorosulfonium ylides to assess the potential for ylide intermediacy in the chlorination of organic sulfides. The majority of optimized structures are best viewed as thionium salts. Only ylide structures in which the putative carbanionic centre bears a powerful anion stabilizer (e.g. cyano or carbomethoxy) survive optimization.

A systematic molecular orbital study on adsorption of CO and N2 on transition metal surfaces

1983 ◽  
Vol 22 (2) ◽  
pp. 205-218 ◽  
Author(s):  
Hisayoshi Kobayashi ◽  
Masaru Yamaguchi ◽  
Satohiro Yoshida ◽  
Teijiro Yonezawa
Keyword(s):  
Transition Metal ◽  
Molecular Orbital ◽  
Metal Surfaces ◽  
Molecular Orbital Study ◽  
Orbital Study ◽  
Transition Metal Surfaces ◽  
Adsorption Of Co
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