Characterization of polyolefin melts using the polymer reference interaction site model integral equation theory with a single-site united atom model

Helen M. Freischmidt; Robert A. Shanks; Graeme Moad; Alfred Uhlherr

doi:10.1002/polb.1155

Characterization of polyolefin melts using the polymer reference interaction site model integral equation theory with a single-site united atom model

Journal of Polymer Science Part B Polymer Physics ◽

10.1002/polb.1155 ◽

2001 ◽

Vol 39 (16) ◽

pp. 1803-1814 ◽

Cited By ~ 7

Author(s):

Helen M. Freischmidt ◽

Robert A. Shanks ◽

Graeme Moad ◽

Alfred Uhlherr

Keyword(s):

Integral Equation ◽

Single Site ◽

Integral Equation Theory ◽

Interaction Site ◽

Site Model ◽

Atom Model ◽

Reference Interaction Site

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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 ◽

Reference Interaction Site

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An integral equation theory for inhomogeneous molecular fluids: The reference interaction site model approach

The Journal of Chemical Physics ◽

10.1063/1.2819487 ◽

2008 ◽

Vol 128 (3) ◽

pp. 034504 ◽

Cited By ~ 25

Author(s):

R. Ishizuka ◽

S.-H. Chong ◽

F. Hirata

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Interaction Site ◽

Molecular Fluids ◽

Site Model ◽

Reference Interaction Site ◽

Model Approach

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On the connection between the reference interaction site model integral equation theory and the partial wave expansion of the molecular Ornstein–Zernike equation

The Journal of Chemical Physics ◽

10.1063/1.479746 ◽

1999 ◽

Vol 111 (11) ◽

pp. 4865-4868 ◽

Cited By ~ 35

Author(s):

Seiichiro Ten-no ◽

Suehiro Iwata

Keyword(s):

Integral Equation ◽

Partial Wave ◽

Integral Equation Theory ◽

Interaction Site ◽

Partial Wave Expansion ◽

Site Model ◽

Wave Expansion ◽

Reference Interaction Site

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K+/Na+ selectivity of KcsA potassium channel analyzed by reference interaction site model (RISM) integral equation theory

Chemical Physics Letters ◽

10.1016/s0009-2614(02)01426-4 ◽

2002 ◽

Vol 365 (1-2) ◽

pp. 110-116 ◽

Cited By ~ 3

Author(s):

Qizhi Cui ◽

Vedene H Smith

Keyword(s):

Integral Equation ◽

Potassium Channel ◽

Integral Equation Theory ◽

Interaction Site ◽

Site Model ◽

Reference Interaction Site ◽

Kcsa Potassium Channel

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Towards a more accurate reference interaction site model integral equation theory for molecular liquids

The Journal of Chemical Physics ◽

10.1063/1.3666006 ◽

2011 ◽

Vol 135 (23) ◽

pp. 234104 ◽

Cited By ~ 16

Author(s):

Bernarda Kežić ◽

Aurélien Perera

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Molecular Liquids ◽

Interaction Site ◽

Site Model ◽

Reference Interaction Site

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Analysis of solvation structure and thermodynamics of methane in water by reference interaction site model theory using an all-atom model

The Journal of Chemical Physics ◽

10.1063/1.1313788 ◽

2000 ◽

Vol 113 (22) ◽

pp. 10240-10245 ◽

Cited By ~ 7

Author(s):

Qizhi Cui ◽

Vedene H. Smith

Keyword(s):

Model Theory ◽

Interaction Site ◽

Site Model ◽

Atom Model ◽

Solvation Structure ◽

Reference Interaction Site

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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 ◽

Cited By ~ 2

Author(s):

Itaru Onishi ◽

Shunya Sunaba ◽

Norio Yoshida ◽

Fumio Hirata ◽

Masayuki Irisa

Keyword(s):

Molecular Dynamics ◽

Dna Hydrolysis ◽

Interaction Site ◽

Site Model ◽

Reference Interaction Site

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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 ◽

Site Model ◽

Reference Interaction Site ◽

Solvation Theory

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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 ◽

Cited By ~ 1

Author(s):

Dipankar Roy ◽

Andriy Kovalenko

Keyword(s):

Interaction Site ◽

Site Model ◽

Reference Interaction Site ◽

Solvation Theory

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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

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