Concepedia

Solvent Modeling

Solvent Modeling is a computational methodology in molecular modeling that explicitly accounts for the effects of solvent molecules on solute behavior through implicit or explicit representation of solvent-solute interactions.

735

Publications

72.6K

Citations

2K

Authors

749

Institutions

Publications per year

2017–2026

198

Parents

Publications

735

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

Vincenzo Barone, Maurizio Cossi · The Journal of Physical Chemistry A · 1998 · 10K citations

, , +15

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

Andreas Klamt, Gerrit Schüürmann · Journal of the Chemical Society Perkin Transactions 2 · 1993 · 9.4K citations

, , +17

Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena

Andreas Klamt · The Journal of Physical Chemistry · 1995 · 4.1K citations

, , +14

New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution

Maurizio Cossi, Giovanni Scalmani, Nadia Rega et al. · The Journal of Chemical Physics · 2002 · 2.4K citations

, , +16

Accurate Calculation of Hydration Free Energies Using Macroscopic Solvent Models

Doree Sitkoff, Kim A. Sharp, Barry Honig · The Journal of Physical Chemistry · 1994 · 2.1K citations

, , +12

1–5 of 735

Authors

2K

  1. WE
    William E. Acree

    University of North Texas, United States

    35 publications · 902 citations

    18

    h-index

  2. MH
    Michael H. Abraham

    University College London, United Kingdom

    27 publications · 677 citations

    17

    h-index

  3. WF
    Wilfred F. van Gunsteren

    ETH Zurich, Switzerland

    10 publications · 954 citations

    10

    h-index

  4. EH
    Erin Hart

    University of North Texas, United States

    8 publications · 172 citations

    8

    h-index

  5. VB
    Vincenzo Barone

    Scuola Normale Superiore, Italy

    7 publications · 12.7K citations

    7

    h-index

1–5 of 2K

Institutions

749

  1. Centre National de la Recherche Scientifique

    Paris, France

    21 h-index

    79 publications

    4K citations

  2. University of North Texas

    Denton, United States

    18 h-index

    177 publications

    4.3K citations

  3. University College London

    London, United Kingdom

    18 h-index

    30 publications

    794 citations

  4. ETH Zurich

    Zurich, Switzerland

    12 h-index

    34 publications

    2.8K citations

  5. University of Minnesota

    Minneapolis, United States

    11 h-index

    24 publications

    2.9K citations

  6. University of Pisa

    Pisa, Italy

    10 h-index

    15 publications

    935 citations

  7. Technical University of Denmark

    Kongens Lyngby, Denmark

    10 h-index

    32 publications

    2.4K citations

  8. Sorbonne Université

    Paris, France

    9 h-index

    24 publications

    1.4K citations

1–8 of 749

Venues

  1. The Journal of Chemical Physics

    82 publications · 10.8K citations

    43

    h-index

  2. The Journal of Physical Chemistry B

    41 publications · 3.2K citations

    27

    h-index

  3. Fluid Phase Equilibria

    34 publications · 1.5K citations

    22

    h-index

  4. The Journal of Physical Chemistry

    24 publications · 8.2K citations

    20

    h-index

  5. Industrial & Engineering Chemistry Research

    26 publications · 1.7K citations

    20

    h-index

1–5