Theoretical analysis of geometry and NMR isotope shift in hydrogen-bonding center of photoactive yellow protein by combination of multicomponent quantum mechanics and ONIOM scheme

2014 ◽  
Vol 141 (18) ◽  
pp. 185101 ◽  
Author(s):  
Yusuke Kanematsu ◽  
Masanori Tachikawa
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Mechanics ◽  
Theoretical Analysis ◽  
Isotope Shift ◽  
Photoactive Yellow Protein

Hydrogen bonding interactions on 1H-1,2,3-triazole based crystals: Featuring experimental and theoretical analysis

2018 ◽  
Vol 18 (6) ◽  
pp. 774-784 ◽  
Author(s):  
P. Muthuraja ◽  
T. Joselin Beaula ◽  
M. Sethuram ◽  
V. Bena Jothy ◽  
M. Dhandapani
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Analysis ◽  
Hydrogen Bonding Interactions

scholarly journals Strong Ionic Hydrogen Bonding Causes a Spectral Isotope Effect in Photoactive Yellow Protein

2013 ◽  
Vol 105 (11) ◽  
pp. 2577-2585 ◽  
Author(s):  
Sandip Kaledhonkar ◽  
Miwa Hara ◽  
T. Page Stalcup ◽  
Aihua Xie ◽  
Wouter D. Hoff
Keyword(s):  
Hydrogen Bonding ◽  
Isotope Effect ◽  
Photoactive Yellow Protein ◽  
Ionic Hydrogen Bonding

Neutron Crystallography, Molecular Dynamics, and Quantum Mechanics Studies of the Nature of Hydrogen Bonding in Cellulose Iβ

2008 ◽  
Vol 9 (11) ◽  
pp. 3133-3140 ◽  
Author(s):  
Yoshiharu Nishiyama ◽  
Glenn P. Johnson ◽  
Alfred D. French ◽  
V. Trevor Forsyth ◽  
Paul Langan
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bonding ◽  
Quantum Mechanics ◽  
Cellulose Iβ ◽  
Neutron Crystallography
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