Concepedia

Molecular Force Constants

Molecular Force Constants is a physical parameter in molecular spectroscopy that quantifies the stiffness of chemical bonds within a molecule by representing the second derivative of the potential energy surface with respect to atomic displacements, serving as a fundamental component in the harmonic approximation of molecular vibrations.

2.2K

Publications

182.3K

Citations

3.7K

Authors

931

Institutions

Publications per year

2017–2026

68

Variants

Bond Force Constants

Parents

Publications

2.2K

Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

, , +17

Raman Spectrum of Graphite

F. Tuinstra, Jack L. Koenig · The Journal of Chemical Physics · 1970 · 10.6K citations

, , +15

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Donald W. Brenner, Olga Shenderova, Judith A. Harrison et al. · Journal of Physics Condensed Matter · 2002 · 3.7K citations · Full text

, , +17

Molecular mechanics. The MM3 force field for hydrocarbons. 1

Norman L. Allinger, Y. Yuh, Jenn Huei Lii · Journal of the American Chemical Society · 1989 · 2.8K citations

, , +14

Accurate bond and angle parameters for X-ray protein structure refinement

Richard A. Engh, Robert Huber · Acta Crystallographica Section A Foundations of Crystallography · 1991 · 2.5K citations

, , +16

1–5 of 2.2K

Authors

3.7K

  1. TS
    Takehiko Shimanouchi

    The University of Tokyo, Japan

    37 publications · 4.3K citations

    33

    h-index

  2. PP
    Péter Pulay

    University of Arkansas at Fayetteville, United States

    34 publications · 8.8K citations

    27

    h-index

  3. LH
    Llewellyn H. Jones

    Los Alamos National Laboratory, United States

    31 publications · 1.8K citations

    25

    h-index

  4. JO
    John Overend

    University of Minnesota, United States

    29 publications · 1.6K citations

    21

    h-index

  5. EK
    Elfi Kraka

    Southern Methodist University, United States

    17 publications · 1.4K citations

    17

    h-index

1–5 of 3.7K

Institutions

931

  1. The University of Tokyo

    Tokyo, Japan

    37 h-index

    139 publications

    12.8K citations

  2. Harvard University

    Cambridge, United States

    28 h-index

    58 publications

    5.6K citations

  3. Los Alamos National Laboratory

    Los Alamos, United States

    27 h-index

    81 publications

    4.7K citations

  4. University of Minnesota

    Minneapolis, United States

    26 h-index

    84 publications

    5.7K citations

  5. National Institute of Standards and Technology

    Gaithersburg, United States

    24 h-index

    58 publications

    4.5K citations

  6. University of Reading

    Reading, United Kingdom

    20 h-index

    41 publications

    8.5K citations

  7. University of California, Berkeley

    Berkeley, United States

    19 h-index

    37 publications

    3.3K citations

  8. Argonne National Laboratory

    Lemont, United States

    19 h-index

    55 publications

    2.2K citations

1–8 of 931

Venues

  1. The Journal of Chemical Physics

    610 publications · 55.8K citations

    101

    h-index

  2. Journal of the American Chemical Society

    JACS · 58 publications · 13.8K citations

    39

    h-index

  3. Journal of Molecular Spectroscopy

    84 publications · 3.9K citations

    35

    h-index

  4. Molecular Physics

    76 publications · 7.6K citations

    35

    h-index

  5. The Journal of Physical Chemistry A

    62 publications · 3.5K citations

    30

    h-index

1–5