Reference interaction site model study on the anomeric equilibrium of D-glucose in aqueous solution

Miyata

doi:10.5488/cmp.10.3.433

Reference interaction site model study on the anomeric equilibrium of D-glucose in aqueous solution

Condensed Matter Physics ◽

10.5488/cmp.10.3.433 ◽

2007 ◽

Vol 10 (3) ◽

pp. 433 ◽

Cited By ~ 6

Author(s):

Miyata

Keyword(s):

Aqueous Solution ◽

Interaction Site ◽

Site Model ◽

Model Study ◽

Reference Interaction Site

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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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Reference interaction site model study of self-aggregating cyanine dyes

The Journal of Chemical Physics ◽

10.1063/1.3211948 ◽

2009 ◽

Vol 131 (7) ◽

pp. 074503 ◽

Cited By ~ 24

Author(s):

Gennady N. Chuev ◽

Maxim V. Fedorov

Keyword(s):

Cyanine Dyes ◽

Interaction Site ◽

Site Model ◽

Model Study ◽

Reference Interaction Site

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Percolation behavior of long permeable objects: A reference interaction-site-model study

Physical Review B ◽

10.1103/physrevb.40.353 ◽

1989 ◽

Vol 40 (1) ◽

pp. 353-360 ◽

Cited By ~ 23

Author(s):

Daniel Lara ◽

Fernando Vericat

Keyword(s):

Interaction Site ◽

Site Model ◽

Model Study ◽

Percolation Behavior ◽

Reference Interaction Site

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Proton Transport through the Influenza A M2 Channel: Three-Dimensional Reference Interaction Site Model Study

Journal of the American Chemical Society ◽

10.1021/ja1027293 ◽

2010 ◽

Vol 132 (28) ◽

pp. 9782-9788 ◽

Cited By ~ 38

Author(s):

Saree Phongphanphanee ◽

Thanyada Rungrotmongkol ◽

Norio Yoshida ◽

Supot Hannongbua ◽

Fumio Hirata

Keyword(s):

Proton Transport ◽

Influenza A ◽

Three Dimensional ◽

Interaction Site ◽

Site Model ◽

Model Study ◽

Reference Interaction Site

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Analytical energy gradient for the reference interaction site model multiconfigurational self‐consistent‐field method: Application to 1,2‐difluoroethylene in aqueous solution

The Journal of Chemical Physics ◽

10.1063/1.472015 ◽

1996 ◽

Vol 105 (4) ◽

pp. 1546-1551 ◽

Cited By ~ 168

Author(s):

Hirofumi Sato ◽

Fumio Hirata ◽

Shigeki Kato

Keyword(s):

Aqueous Solution ◽

Field Method ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Energy Gradient ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Interaction Site

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Combination of the Replica-Exchange Monte Carlo Method and the Reference Interaction Site Model Theory for Simulating a Peptide Molecule in Aqueous Solution

The Journal of Physical Chemistry B ◽

10.1021/jp047824d ◽

2004 ◽

Vol 108 (49) ◽

pp. 19002-19012 ◽

Cited By ~ 23

Author(s):

Ayori Mitsutake ◽

Masahiro Kinoshita ◽

Yuko Okamoto ◽

Fumio Hirata

Keyword(s):

Aqueous Solution ◽

Monte Carlo ◽

Monte Carlo Method ◽

Model Theory ◽

Replica Exchange ◽

Interaction Site ◽

Site Model ◽

Peptide Molecule ◽

Replica Exchange Monte Carlo ◽

Reference Interaction Site

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Potentials of mean force of simple ions in ambient aqueous solution. I. Three-dimensional reference interaction site model approach

The Journal of Chemical Physics ◽

10.1063/1.481676 ◽

2000 ◽

Vol 112 (23) ◽

pp. 10391-10402 ◽

Cited By ~ 192

Author(s):

Andriy Kovalenko ◽

Fumio Hirata

Keyword(s):

Aqueous Solution ◽

Three Dimensional ◽

Interaction Site ◽

Site Model ◽

Potentials Of Mean Force ◽

Reference Interaction Site ◽

Model Approach

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Potentials of mean force of simple ions in ambient aqueous solution. II. Solvation structure from the three-dimensional reference interaction site model approach, and comparison with simulations

The Journal of Chemical Physics ◽

10.1063/1.481677 ◽

2000 ◽

Vol 112 (23) ◽

pp. 10403-10417 ◽

Cited By ~ 92

Author(s):

Andriy Kovalenko ◽

Fumio Hirata

Keyword(s):

Aqueous Solution ◽

Three Dimensional ◽

Interaction Site ◽

Site Model ◽

Solvation Structure ◽

Potentials Of Mean Force ◽

Reference Interaction Site ◽

Model Approach

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Three-Dimensional Reference Interaction Site Model Self-Consistent Field Study of the Electronic Structure of [Cr(H2O)6]3+ in Aqueous Solution

The Journal of Physical Chemistry A ◽

10.1021/jp405876g ◽

2013 ◽

Vol 117 (34) ◽

pp. 8314-8322 ◽

Cited By ~ 5

Author(s):

Shinya Fujishige ◽

Yukio Kawashima ◽

Norio Yoshida ◽

Haruyuki Nakano

Keyword(s):

Aqueous Solution ◽

Electronic Structure ◽

Field Study ◽

Three Dimensional ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Reference Interaction Site

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Self-consistent field, ab initio molecular orbital and three-dimensional reference interaction site model study for solvation effect on carbon monoxide in aqueous solution

The Journal of Chemical Physics ◽

10.1063/1.481564 ◽

2000 ◽

Vol 112 (21) ◽

pp. 9463-9468 ◽

Cited By ~ 65

Author(s):

Hirofumi Sato ◽

Andriy Kovalenko ◽

Fumio Hirata

Keyword(s):

Aqueous Solution ◽

Carbon Monoxide ◽

Ab Initio ◽

Three Dimensional ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Model Study ◽

Self Consistent ◽

Self Consistent Field

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