Theoretical analysis of H/D geometric isotope effect on adenine–thymine base pair using multi-component molecular orbital method

2009 ◽  
Vol 912 (1-3) ◽  
pp. 63-66 ◽  
Author(s):  
Taro Udagawa ◽  
Masanori Tachikawa
Keyword(s):  
Theoretical Analysis ◽  
Isotope Effect ◽  
Molecular Orbital ◽  
Base Pair ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Adenine Thymine

Charge transfer in single- and double-strand DNAs: Theoretical analysis based on molecular orbital method

2006 ◽  
Vol 106 (15) ◽  
pp. 3270-3277 ◽  
Author(s):  
Kenichi Dedachi ◽  
Takayuki Natsume ◽  
Taisuke Nakatsu ◽  
Yasuyuki Ishikawa ◽  
Noriyuki Kurita
Keyword(s):  
Charge Transfer ◽  
Theoretical Analysis ◽  
Molecular Orbital ◽  
Orbital Method ◽  
Molecular Orbital Method

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

scholarly journals Theoretical analysis of pKa shifts of bacteriorhodopsin using linear scale molecular orbital method

2000 ◽  
Vol 40 (supplement) ◽  
pp. S39
Author(s):  
N. Kamiya ◽  
K. Ohno ◽  
S. Nakajima ◽  
Y. Inoue ◽  
M. Sakurai
Keyword(s):  
Theoretical Analysis ◽  
Molecular Orbital ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Linear Scale ◽  
Pka Shifts

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
Sign in / Sign up

Export Citation Format

Share Document