Concepedia

Continuum Solvation Models

Continuum Solvation Models is a theoretical framework in computational chemistry that treats the solvent as a continuous, structureless medium characterized by macroscopic properties such as dielectric constant, in contrast to explicit molecular representations of solvent, to approximate the electrostatic and non-electrostatic interactions between solute and solvent.

1.2K

Publications

172.2K

Citations

2.5K

Authors

901

Institutions

Publications per year

2017–2026

178

Variants

Continuum Solvation Model

Parents

Publications

1.2K

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 17.4K citations · Full text

, , +17

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

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.9K citations

, , +16

Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model

Maurizio Cossi, Nadia Rega, Giovanni Scalmani et al. · Journal of Computational Chemistry · 2003 · 7.9K citations

, , +14

Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models

Peter A. Kollman, Irina Massova, Carolina Reyes et al. · Accounts of Chemical Research · 2000 · 4.9K citations

, , +17

1–5 of 1.2K

Authors

2.5K

  1. BM
    Benedetta Mennucci

    University of Pisa, Italy

    67 publications · 13.7K citations

    44

    h-index

  2. JT
    Jacopo Tomasi

    University of Pisa, Italy

    44 publications · 15.8K citations

    35

    h-index

  3. RC
    Roberto Cammi

    University of Parma, Italy

    32 publications · 8.6K citations

    27

    h-index

  4. VB
    Vincenzo Barone

    Scuola Normale Superiore, Italy

    36 publications · 22.1K citations

    27

    h-index

  5. CJ
    Christopher J. Cramer

    University of Minnesota, United States

    24 publications · 22.5K citations

    24

    h-index

1–5 of 2.5K

Institutions

901

  1. University of Pisa

    Pisa, Italy

    57 h-index

    202 publications

    50.1K citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    32 h-index

    128 publications

    6.4K citations

  3. University of Minnesota

    Minneapolis, United States

    27 h-index

    84 publications

    70.3K citations

  4. University of Parma

    Parma, Italy

    25 h-index

    49 publications

    8.5K citations

  5. Scuola Normale Superiore

    Pisa, Italy

    23 h-index

    55 publications

    3.1K citations

  6. University of Naples Federico II

    Naples, Italy

    22 h-index

    71 publications

    64.5K citations

  7. Universitat de Barcelona

    Barcelona, Spain

    20 h-index

    92 publications

    7.2K citations

  8. Columbia University

    New York, United States

    19 h-index

    62 publications

    13.7K citations

1–8 of 901

Venues

  1. The Journal of Chemical Physics

    215 publications · 27.8K citations

    74

    h-index

  2. The Journal of Physical Chemistry B

    121 publications · 26.6K citations

    50

    h-index

  3. The Journal of Physical Chemistry A

    112 publications · 11.4K citations

    47

    h-index

  4. Journal of Chemical Theory and Computation

    JCTC · 66 publications · 6.2K citations

    39

    h-index

  5. Journal of Computational Chemistry

    84 publications · 16.9K citations

    37

    h-index

1–5