Ab initio MO study of carbon dioxide insertion into a copper(I)-hydrogen bond. Semiquantitative understanding of changes in geometry, bonding, and electron distribution during the reaction

1989 ◽  
Vol 28 (13) ◽  
pp. 2583-2590 ◽  
Author(s):  
Shigeyoshi Sakaki ◽  
Katsutoshi Ohkubo
Keyword(s):  
Carbon Dioxide ◽  
Hydrogen Bond ◽  
Ab Initio ◽  
Electron Distribution ◽  
Ab Initio Mo

Electronic structure and enhanced reactivity of carbon dioxide coordinated with a rhodium(I) complex. An ab initio MO study

1989 ◽  
Vol 28 (1) ◽  
pp. 103-109 ◽  
Author(s):  
Shigeyoshi Sakaki ◽  
Tetsuro Aizawa ◽  
Nobuaki Koga ◽  
Keiji Morokuma ◽  
Katsutoshi Ohkubo
Keyword(s):  
Carbon Dioxide ◽  
Electronic Structure ◽  
Ab Initio ◽  
Ab Initio Mo

The conformation of levopimaric acid investigated by high-level ab initio MO calculations. Possibility of the CH/π hydrogen bond

Tetrahedron ◽  
2009 ◽  
Vol 65 (17) ◽  
pp. 3525-3528 ◽  
Author(s):  
Osamu Takahashi ◽  
Katsuyoshi Yamasaki ◽  
Yuji Kohno ◽  
Kazuyoshi Ueda ◽  
Hiroko Suezawa ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Ab Initio ◽  
Mo Calculations ◽  
Ab Initio Mo Calculations ◽  
Levopimaric Acid ◽  
Ab Initio Mo ◽  
High Level

scholarly journals Origin of the axial-alkyl preference of (R)-α-phellandrene and related compounds investigated by high-level ab initio MO calculations. Importance of the CH/π hydrogen bond

Tetrahedron ◽  
2008 ◽  
Vol 64 (24) ◽  
pp. 5773-5778 ◽  
Author(s):  
Osamu Takahashi ◽  
Katsuyoshi Yamasaki ◽  
Yuji Kohno ◽  
Kazuyoshi Ueda ◽  
Hiroko Suezawa ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Ab Initio ◽  
Mo Calculations ◽  
Ab Initio Mo Calculations ◽  
Ab Initio Mo ◽  
High Level ◽  
Related Compounds

Ab initio MO calculation of force constants and dipole derivatives for the formamide dimer. An estimation of hydrogen-bond force constants

1983 ◽  
Vol 100 (6) ◽  
pp. 523-528 ◽  
Author(s):  
Marek J. Wójcik ◽  
Akiko Y. Hirakawa ◽  
Masamichi Tsuboi ◽  
Shigeki Kato ◽  
Keiji Morokuma
Keyword(s):  
Hydrogen Bond ◽  
Ab Initio ◽  
Force Constants ◽  
Bond Force ◽  
Mo Calculation ◽  
Ab Initio Mo
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