Simulation and reference interaction site model theory of methanol and carbon tetrachloride mixtures

G. Munaò; D. Costa; F. Saija; C. Caccamo

doi:10.1063/1.3314296

Simulation and reference interaction site model theory of methanol and carbon tetrachloride mixtures

The Journal of Chemical Physics ◽

10.1063/1.3314296 ◽

2010 ◽

Vol 132 (8) ◽

pp. 084506 ◽

Cited By ~ 12

Author(s):

G. Munaò ◽

D. Costa ◽

F. Saija ◽

C. Caccamo

Keyword(s):

Carbon Tetrachloride ◽

Model Theory ◽

Interaction Site ◽

Site Model ◽

Reference Interaction Site

Download Full-text

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

The Journal of Chemical Physics ◽

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

Download Full-text

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

The Journal of Chemical Physics ◽

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 ◽

Reference Interaction Site

Download Full-text

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

The Journal of Chemical Physics ◽

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 ◽

Reference Interaction Site

Download Full-text

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 ◽

Reference Interaction Site

Download Full-text

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

The Journal of Chemical Physics ◽

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 ◽

Reference Interaction Site

Download Full-text

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

The Journal of Chemical Physics ◽

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 ◽

Reference Interaction Site

Download Full-text

Analysis on conformational stability of C-peptide of ribonuclease A in water using the reference interaction site model theory and Monte Carlo simulated annealing

The Journal of Chemical Physics ◽

10.1063/1.478290 ◽

1999 ◽

Vol 110 (8) ◽

pp. 4090-4100 ◽

Cited By ~ 37

Author(s):

Masahiro Kinoshita ◽

Yuko Okamoto ◽

Fumio Hirata

Keyword(s):

Monte Carlo ◽

Simulated Annealing ◽

Model Theory ◽

Conformational Stability ◽

Ribonuclease A ◽

C Peptide ◽

Interaction Site ◽

Site Model ◽

Monte Carlo Simulated Annealing ◽

Reference Interaction Site

Download Full-text

Improvement of the reference interaction site model theory for calculating the partial molar volume of amino acids and polypeptides

Chemical Physics Letters ◽

10.1016/s0009-2614(01)01129-0 ◽

2001 ◽

Vol 348 (3-4) ◽

pp. 337-342 ◽

Cited By ~ 20

Author(s):

Masahiro Kinoshita ◽

Takashi Imai ◽

Andriy Kovalenko ◽

Fumio Hirata

Keyword(s):

Amino Acids ◽

Molar Volume ◽

Partial Molar Volume ◽

Model Theory ◽

Interaction Site ◽

Site Model ◽

Reference Interaction Site

Download Full-text

Analysis of K+/Na+selectivity of KcsA potassium channel with reference interaction site model theory

Molecular Physics ◽

10.1080/00268970512331316201 ◽

2005 ◽

Vol 103 (2-3) ◽

pp. 191-201

Author(s):

Qizhi Cui † ◽

Vedene H. Smith

Keyword(s):

Potassium Channel ◽

Model Theory ◽

Interaction Site ◽

Site Model ◽

Reference Interaction Site ◽

Kcsa Potassium Channel

Download Full-text

Structure of poly(ethylene glycol)–water mixture studied by polymer reference interaction site model theory

The Journal of Chemical Physics ◽

10.1063/1.3502108 ◽

2010 ◽

Vol 133 (17) ◽

pp. 174104 ◽

Cited By ~ 15

Author(s):

Qinzhi Xu ◽

Jianguo Mi ◽

Chongli Zhong

Keyword(s):

Ethylene Glycol ◽

Model Theory ◽

Water Mixture ◽

Poly Ethylene Glycol ◽

Interaction Site ◽

Site Model ◽

Reference Interaction Site ◽

Poly Ethylene

Download Full-text