H/D isotope effect in methyl torsional interaction of acetone as calculated by a multicomponent molecular orbital method

2008 ◽  
Vol 129 (21) ◽  
pp. 214116 ◽  
Author(s):  
Takayoshi Ishimoto ◽  
Yasuyuki Ishihara ◽  
Hiroyuki Teramae ◽  
Masaaki Baba ◽  
Umpei Nagashima
Keyword(s):  
Isotope Effect ◽  
Molecular Orbital ◽  
Orbital Method ◽  
Molecular Orbital Method

H∕D isotope effect of methyl internal rotation for acetaldehyde in ground state as calculated from a multicomponent molecular orbital method

2008 ◽  
Vol 128 (18) ◽  
pp. 184309 ◽  
Author(s):  
Takayoshi Ishimoto ◽  
Yasuyuki Ishihara ◽  
Hiroyuki Teramae ◽  
Masaaki Baba ◽  
Umpei Nagashima
Keyword(s):  
Internal Rotation ◽  
Isotope Effect ◽  
Molecular Orbital ◽  
Ground State ◽  
Orbital Method ◽  
Molecular Orbital Method

Isotope Effect on Hydrogen (Deuterium)-Absorbing Pt Clusters Calculated by the Multi-Component Molecular Orbital Method

2005 ◽  
Vol 74 (11) ◽  
pp. 3112-3116 ◽  
Author(s):  
Takayoshi Ishimoto ◽  
Masanori Tachikawa ◽  
Hiroaki Tokiwa ◽  
Umpei Nagashima
Keyword(s):  
Isotope Effect ◽  
Molecular Orbital ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Hydrogen Deuterium

Geometric Isotope Effect of Various Intermolecular and Intramolecular C−H···O Hydrogen Bonds, Using the Multicomponent Molecular Orbital Method

2006 ◽  
Vol 110 (22) ◽  
pp. 7279-7285 ◽  
Author(s):  
Taro Udagawa ◽  
Takayoshi Ishimoto ◽  
Hiroaki Tokiwa ◽  
Masanori Tachikawa ◽  
Umpei Nagashima
Keyword(s):  
Hydrogen Bonds ◽  
Isotope Effect ◽  
Molecular Orbital ◽  
Orbital Method ◽  
Molecular Orbital Method
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