Multiscale Solvation Theory for Nano- and Biomolecules

Molecular Basics of Liquids and Liquid-Based Materials - Physical Chemistry in Action ◽

10.1007/978-981-16-5395-7_2 ◽

2021 ◽

pp. 17-37

Author(s):

Norio Yoshida ◽

Hirofumi Sato

Keyword(s):

Solvation Theory

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Evaluation of initial and transition state solvation effects in aprotic media by the competetive preferential solvation theory

Inorganica Chimica Acta ◽

10.1016/s0020-1693(00)92280-1 ◽

1980 ◽

Vol 40 ◽

pp. X163

Author(s):

Otto B. Nagy

Keyword(s):

Transition State ◽

Preferential Solvation ◽

Solvation Effects ◽

Solvation Theory

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Molecular solvation theory studies of liquid oleyl alcohol and molecular partitioning in water-oleyl alcohol mixture

Chemical Physics Letters ◽

10.1016/j.cplett.2021.138726 ◽

2021 ◽

Vol 777 ◽

pp. 138726

Author(s):

Dipankar Roy ◽

Andriy Kovalenko

Keyword(s):

Oleyl Alcohol ◽

Alcohol Mixture ◽

Solvation Theory

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Correspondence between Spectral-Derived and Viscosity-Derived Local Composition in Binary Liquid Mixtures Having Specific Interactions with Preferential Solvation Theory

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.8b09511 ◽

2018 ◽

Vol 122 (48) ◽

pp. 10894-10906 ◽

Author(s):

Alif Duereh ◽

Yoshiyuki Sato ◽

Richard Lee Smith ◽

Hiroshi Inomata

Keyword(s):

Preferential Solvation ◽

Liquid Mixtures ◽

Binary Liquid Mixtures ◽

Specific Interactions ◽

Local Composition ◽

Binary Liquid ◽

Solvation Theory

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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 ◽

Reference Interaction Site ◽

Solvation Theory

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Chapter 9. 3D-RISM-KH Molecular Solvation Theory

10.1039/9781839164668-00254 ◽

2021 ◽

pp. 254-286

Author(s):

Dipankar Roy ◽

Andriy Kovalenko

Keyword(s):

Solvation Theory

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Predicting Site-Binding Modes of Ions and Water to Nucleic Acids Using Molecular Solvation Theory

Journal of the American Chemical Society ◽

10.1021/jacs.8b11474 ◽

2019 ◽

Vol 141 (6) ◽

pp. 2435-2445 ◽

Author(s):

George M. Giambaşu ◽

David A. Case ◽

Darrin M. York

Keyword(s):

Nucleic Acids ◽

Binding Modes ◽

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 ◽

Author(s):

Dipankar Roy ◽

Andriy Kovalenko

Keyword(s):

Interaction Site ◽

Reference Interaction Site ◽

Solvation Theory

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Short-Time Dynamics of Solvation: Linear Solvation Theory for Polar Solvents

The Journal of Physical Chemistry ◽

10.1021/j100009a007 ◽

1995 ◽

Vol 99 (9) ◽

pp. 2502-2511 ◽

Author(s):

Branka M. Ladanyi ◽

Richard M. Stratt

Keyword(s):

Polar Solvents ◽

Time Dynamics ◽

Solvation Theory ◽

Linear Solvation

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Application of the 3D-RISM-KH molecular solvation theory for DMSO as solvent

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-019-00238-4 ◽

2019 ◽

Vol 33 (10) ◽

pp. 905-912 ◽

Author(s):

Dipankar Roy ◽

Andriy Kovalenko

Keyword(s):

Solvation Theory

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An extended solvation theory for electrolyte osmotic and activity coefficients. I. Application at 298.15 K

Fluid Phase Equilibria ◽

10.1016/j.fluid.2019.112243 ◽

2019 ◽

Vol 499 ◽

pp. 112243 ◽

Author(s):

Javier Temoltzi-Avila ◽

Gustavo A. Iglesias-Silva ◽

Mariana Ramos-Estrada ◽

Kenneth R. Hall

Keyword(s):

Activity Coefficients ◽

Solvation Theory

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