Ab Initio Molecular Orbital Study of Triruthenium Complexes: Geometrical and Electronic Structure of Ru3Cp*3(.mu.-H)3(.mu.3-H)2, Ru3Cp*3(.mu.-H)6+, and Ru3Cp*3(.mu.-H)3 and Rearrangement of Ru3Cp*3(.mu.-H)3(.mu.3:.eta.2-HCCR')

1994 ◽  
Vol 13 (12) ◽  
pp. 4765-4780 ◽  
Author(s):  
Jean-Frederic Riehl ◽  
Nobuaki Koga ◽  
Keiji Morokuma
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study
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