Concepedia

Molecular Structure

Molecular Structure is the spatial arrangement of atoms within a molecule, distinguished by the specific connectivity and geometric configuration of constituent atoms bonded through defined interatomic distances and angles.

28K

Publications

1.7M

Citations

52.5K

Authors

5.2K

Institutions

Publications per year

2017–2026

2.9K

Variants

Molecular Structures

Parents

Children

Publications

28K

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.7K citations

, , +17

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations

, , +16

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations

, , +17

<i>Molecular Theory of Gases and Liquids</i>

Joseph O. Hirschfelder, C. F. Curtiss, R. Byron Bird · Physics Today · 1955 · 11.4K citations

, , +14

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

, , +15

1–5 of 28K

Authors

52.5K

  1. JA
    John A. Pople

    Carnegie Mellon University, United States

    67 publications · 51.7K citations

    53

    h-index

  2. GR
    Gautam R. Desiraju

    University of Hyderabad, India

    66 publications · 11.2K citations

    39

    h-index

  3. İG
    İvan Gutman

    University of Kragujevac, Serbia

    106 publications · 6.9K citations

    38

    h-index

  4. KK
    K. Kuchitsu

    The University of Tokyo, Japan

    60 publications · 4.4K citations

    38

    h-index

  5. WN
    William N. Lipscomb

    Harvard University, United States

    56 publications · 4.2K citations

    34

    h-index

1–5 of 52.5K

Institutions

5.2K

  1. Centre National de la Recherche Scientifique

    Paris, France

    89 h-index

    2K publications

    116.9K citations

  2. The University of Tokyo

    Tokyo, Japan

    72 h-index

    900 publications

    58.2K citations

  3. University of Cambridge

    Cambridge, United Kingdom

    65 h-index

    408 publications

    31.4K citations

  4. University of California, Berkeley

    Berkeley, United States

    64 h-index

    441 publications

    42.8K citations

  5. Lawrence Berkeley National Laboratory

    Berkeley, United States

    61 h-index

    381 publications

    41.4K citations

  6. University of Chicago

    Chicago, United States

    60 h-index

    211 publications

    20.7K citations

  7. Chinese Academy of Sciences

    Beijing, China

    56 h-index

    911 publications

    43K citations

  8. University College London

    London, United Kingdom

    55 h-index

    308 publications

    26.6K citations

1–8 of 5.2K

Venues

  1. The Journal of Chemical Physics

    2.6K publications · 286.5K citations

    194

    h-index

  2. Journal of the American Chemical Society

    JACS · 972 publications · 125.6K citations

    166

    h-index

  3. The Journal of Physical Chemistry A

    1.1K publications · 54.1K citations

    106

    h-index

  4. Angewandte Chemie International Edition

    341 publications · 33.7K citations

    92

    h-index

  5. Acta Crystallographica

    399 publications · 24.6K citations

    84

    h-index

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