Free energy profiles of electron transfer at water–electrode interface studied by the reference interaction site model theory

Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.9b00330 ◽

2019 ◽

Vol 59 (9) ◽

pp. 3770-3781 ◽

Cited By ~ 4

Author(s):

Shoichi Tanimoto ◽

Norio Yoshida ◽

Tsuyoshi Yamaguchi ◽

Seiichiro L. Ten-no ◽

Haruyuki Nakano

Keyword(s):

Free Energy ◽

Model Theory ◽

Solvation Free Energy ◽

Interaction Site ◽

Site Model ◽

Comparative Study on Solvation Free Energy Expressions in Reference Interaction Site Model Integral Equation Theory

The Journal of Physical Chemistry B ◽

10.1021/jp053259i ◽

2005 ◽

Vol 109 (36) ◽

pp. 17290-17295 ◽

Cited By ~ 31

Author(s):

Kazuto Sato ◽

Hiroshi Chuman ◽

Seiichiro Ten-no

Keyword(s):

Integral Equation ◽

Free Energy ◽

Comparative Study ◽

Solvation Free Energy ◽

Integral Equation Theory ◽

Interaction Site ◽

Site Model ◽

Solvation structure, thermodynamics, and conformational dependence of alanine dipeptide in aqueous solution analyzed with reference interaction site model theory

10.1063/1.1524617 ◽

2003 ◽

Vol 118 (1) ◽

pp. 279-290 ◽

Cited By ~ 8

Author(s):

Qizhi Cui ◽

Vedene H. Smith

Keyword(s):

Aqueous Solution ◽

Model Theory ◽

Interaction Site ◽

Site Model ◽

Solvation Structure ◽

Reference Interaction Site ◽

Alanine Dipeptide

Solute-structure dependence of solvation dynamics studied by reference interaction-site model theory

10.1063/1.1532345 ◽

2003 ◽

Vol 118 (5) ◽

pp. 2279-2285 ◽

Cited By ~ 13

Author(s):

Katsura Nishiyama ◽

Fumio Hirata ◽

Tadashi Okada

Keyword(s):

Model Theory ◽

Solvation Dynamics ◽

Structure Dependence ◽

Interaction Site ◽

Site Model ◽

Improved estimates for hydration free energy obtained by the reference interaction site model

Chemical Physics Letters ◽

10.1016/j.cplett.2007.10.003 ◽

2007 ◽

Vol 448 (4-6) ◽

pp. 198-202 ◽

Cited By ~ 76

Author(s):

Gennady N. Chuev ◽

Maxim V. Fedorov ◽

Jason Crain

Keyword(s):

Free Energy ◽

Hydration Free Energy ◽

Interaction Site ◽

Site Model ◽

Comparison of DNA hydration patterns obtained using two distinct computational methods, molecular dynamics simulation and three-dimensional reference interaction site model theory

10.1063/1.2904865 ◽

2008 ◽

Vol 128 (18) ◽

pp. 185102 ◽

Cited By ~ 12

Author(s):

Yoshiteru Yonetani ◽

Yutaka Maruyama ◽

Fumio Hirata ◽

Hidetoshi Kono

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Computational Methods ◽

Model Theory ◽

Three Dimensional ◽

Dynamics Simulation ◽

Interaction Site ◽

Site Model ◽

Dna Hydration ◽

Solvation free-energy pressure corrections in the three dimensional reference interaction site model

10.1063/1.4935065 ◽

2015 ◽

Vol 143 (18) ◽

pp. 184116 ◽

Cited By ~ 38

Author(s):

Volodymyr Sergiievskyi ◽

Guillaume Jeanmairet ◽

Maximilien Levesque ◽

Daniel Borgis

Keyword(s):

Free Energy ◽

Three Dimensional ◽

Solvation Free Energy ◽

Interaction Site ◽

Site Model ◽

Thermodynamically consistent reference interaction site model theory of the tangent diatomic fluid

Chemical Physics Letters ◽

10.1016/j.cplett.2009.01.064 ◽

2009 ◽

Vol 470 (4-6) ◽

pp. 240-243 ◽

Cited By ~ 13

Author(s):

G. Munaò ◽

D. Costa ◽

C. Caccamo

Keyword(s):

Model Theory ◽

Interaction Site ◽

Site Model ◽

Analysis of solvation structure and thermodynamics of ethane and propane in water by reference interaction site model theory using all-atom models

10.1063/1.1384421 ◽

2001 ◽

Vol 115 (5) ◽

pp. 2228-2236 ◽

Cited By ~ 4

Author(s):

Qizhi Cui ◽

Vedene H. Smith

Keyword(s):

Model Theory ◽

Interaction Site ◽

Site Model ◽

Solvation Structure ◽

Development of a solvent-polarizable three-dimensional reference interaction-site model theory

10.1063/5.0004173 ◽

2020 ◽

Vol 152 (11) ◽

pp. 114108 ◽

Cited By ~ 1

Author(s):

Norio Yoshida ◽

Tsuyoshi Yamaguchi

Keyword(s):

Model Theory ◽

Three Dimensional ◽

Interaction Site ◽

Site Model ◽