Concepedia

Molecular Electrostatic Potential

Molecular Electrostatic Potential is a quantum chemically derived scalar field that, at a given point in space around a molecule, represents the electrostatic interaction energy between a unit positive test charge and the molecule's permanent charge distribution, thereby distinguishing it from related electronic properties by encoding both nuclear and electron density contributions to molecular reactivity and intermolecular interactions.

3.5K

Publications

263.7K

Citations

9.6K

Authors

2.4K

Institutions

Publications per year

2017–2026

1K

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Mep

Parents

Publications

3.5K

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

, , +15

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

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

Christopher I. Bayly, Piotr Cieplak, Wendy D. Cornell et al. · The Journal of Physical Chemistry · 1993 · 8.1K citations

, , +11

Electrostatics of nanosystems: Application to microtubules and the ribosome

Nathan Baker, David Sept, Simpson Joseph et al. · Proceedings of the National Academy of Sciences · 2001 · 7.3K citations · Full text

, , +16

Bonded-atom fragments for describing molecular charge densities

F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations

, , +14

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Authors

9.6K

  1. PP
    Peter Politzer

    University of New Orleans, United States

    97 publications · 16.4K citations

    52

    h-index

  2. JS
    Jane S. Murray

    University of New Orleans, United States

    83 publications · 15.2K citations

    49

    h-index

  3. SR
    Shridhar R. Gadre

    Savitribai Phule Pune University, India

    72 publications · 4.2K citations

    37

    h-index

  4. CH
    Cherumuttathu H. Suresh

    National Institute for Interdisciplinary Science and Technology, India

    53 publications · 3.5K citations

    33

    h-index

  5. FJ
    F. Javier Luque

    Universitat de Barcelona, Spain

    24 publications · 1.8K citations

    21

    h-index

1–5 of 9.6K

Institutions

2.4K

  1. Centre National de la Recherche Scientifique

    Paris, France

    48 h-index

    477 publications

    30.4K citations

  2. University of New Orleans

    New Orleans, United States

    46 h-index

    220 publications

    28.4K citations

  3. Savitribai Phule Pune University

    Pune, India

    36 h-index

    179 publications

    9.5K citations

  4. Institut de Biologie Physico-Chimique

    Paris, France

    30 h-index

    132 publications

    5.5K citations

  5. National Institute for Interdisciplinary Science and Technology

    Thiruvananthapuram, India

    28 h-index

    96 publications

    6.1K citations

  6. Chinese Academy of Sciences

    Beijing, China

    26 h-index

    151 publications

    15.5K citations

  7. Universitat de Barcelona

    Barcelona, Spain

    26 h-index

    104 publications

    7.2K citations

  8. Sorbonne Université

    Paris, France

    26 h-index

    94 publications

    4.3K citations

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Venues

  1. The Journal of Chemical Physics

    232 publications · 30.3K citations

    72

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  2. Journal of Computational Chemistry

    184 publications · 34.1K citations

    67

    h-index

  3. Journal of the American Chemical Society

    JACS · 84 publications · 8K citations

    54

    h-index

  4. The Journal of Physical Chemistry A

    165 publications · 8.8K citations

    52

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  5. Journal of Chemical Theory and Computation

    JCTC · 111 publications · 10.1K citations

    49

    h-index

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