The Excluded Volume Problem in the Polymer Reference Interaction Site Model

Macromolecules ◽

10.1021/ma971381c ◽

1999 ◽

Vol 32 (6) ◽

pp. 2016-2027 ◽

Author(s):

Erik Nies ◽

Suxin Wang ◽

Rob H. C. Janssen ◽

Peter Cifra

Keyword(s):

Excluded Volume ◽

Interaction Site ◽

Volume Problem ◽

Reference Interaction Site

Download Full-text

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 ◽

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 ◽

Reference Interaction Site

Download Full-text

Role of Mg2+Ions in DNA Hydrolysis byEcoRV, Studied by the 3D-Reference Interaction Site Model and Molecular Dynamics

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.7b12555 ◽

2018 ◽

Vol 122 (39) ◽

pp. 9061-9075 ◽

Author(s):

Itaru Onishi ◽

Shunya Sunaba ◽

Norio Yoshida ◽

Fumio Hirata ◽

Masayuki Irisa

Keyword(s):

Molecular Dynamics ◽

Dna Hydrolysis ◽

Interaction Site ◽

Reference Interaction Site

Download Full-text

A molecular solvation theory simulation of liquid alkyl esters of acetic acid with the 3D Reference Interaction Site Model

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.117763 ◽

2021 ◽

Vol 344 ◽

pp. 117763

Author(s):

Dipankar Roy ◽

Andriy Kovalenko

Keyword(s):

Acetic Acid ◽

Alkyl Esters ◽

Interaction Site ◽

Reference Interaction Site ◽

Solvation Theory

Download Full-text

Application of the Approximate 3D-Reference Interaction Site Model (RISM) Molecular Solvation Theory to Acetonitrile as Solvent

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c03230 ◽

2020 ◽

Vol 124 (22) ◽

pp. 4590-4597 ◽

Author(s):

Dipankar Roy ◽

Andriy Kovalenko

Keyword(s):

Interaction Site ◽

Reference Interaction Site ◽

Solvation Theory

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 ◽

Author(s):

Qizhi Cui ◽

Vedene H. Smith

Keyword(s):

Aqueous Solution ◽

Model Theory ◽

Interaction Site ◽

Solvation Structure ◽

Reference Interaction Site ◽

Alanine Dipeptide

Download Full-text

Multigrid solver for the reference interaction site model of molecular liquids theory

Journal of Computational Chemistry ◽

10.1002/jcc.21783 ◽

2011 ◽

Vol 32 (9) ◽

pp. 1982-1992 ◽

Author(s):

Volodymyr P. Sergiievskyi ◽

Wolfgang Hackbusch ◽

Maxim V. Fedorov

Keyword(s):

Molecular Liquids ◽

Multigrid Solver ◽

Interaction Site ◽

Reference Interaction Site

Download Full-text

How Mg2+ ion and water network affect the stability and structure of non-Watson–Crick base pairs in E. coli loop E of 5S rRNA: a molecular dynamics and reference interaction site model (RISM) study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2016.1213186 ◽

2016 ◽

Vol 35 (10) ◽

pp. 2103-2122 ◽

Author(s):

Sudhanshu Shanker ◽

Pradipta Bandyopadhyay

Keyword(s):

Molecular Dynamics ◽

5S Rrna ◽

Water Network ◽

Interaction Site ◽

E Coli ◽

Reference Interaction Site ◽

Download Full-text

Solvent electronic polarization effect on the electronic transitions in solution: Charge polarizable reference interaction site model self-consistent field approach

The Journal of Chemical Physics ◽

10.1063/1.479329 ◽

1999 ◽

Vol 111 (2) ◽

pp. 481-491 ◽

Author(s):

Kazunari Naka ◽

Akihiro Morita ◽

Shigeki Kato

Keyword(s):

Polarization Effect ◽

Electronic Transitions ◽

Electronic Polarization ◽

Interaction Site ◽

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Interaction Site

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 ◽

Author(s):

Katsura Nishiyama ◽

Fumio Hirata ◽

Tadashi Okada

Keyword(s):

Model Theory ◽

Solvation Dynamics ◽

Structure Dependence ◽

Interaction Site ◽

Reference Interaction Site

Download Full-text

Analytic solution of the reference interaction site model equation for a mixture of hard spheres and symmetric rigid molecules

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/1/17/010 ◽

1989 ◽

Vol 1 (17) ◽

pp. 2891-2909 ◽

Author(s):

M F Holovko ◽

Yu V Kalyuzhnij

Keyword(s):

Model Equation ◽

Analytic Solution ◽

Hard Spheres ◽

Interaction Site ◽

Reference Interaction Site

Download Full-text