Concepedia

Anharmonic Vibrational Effects

Anharmonic Vibrational Effects is a theoretical construct in molecular spectroscopy that describes deviations from the harmonic oscillator approximation in molecular vibrations, accounting for the non-parabolic nature of potential energy surfaces and enabling more accurate predictions of vibrational energy levels, dissociation energies, and overtones in real molecules.

2.7K

Publications

124.7K

Citations

5.4K

Authors

1.3K

Institutions

Publications per year

2017–2026

284

Parents

Publications

2.7K

Anharmonic vibrational properties by a fully automated second-order perturbative approach

Vincenzo Barone · The Journal of Chemical Physics · 2004 · 1.6K citations

, , +14

Anharmonic force constant calculations

A.R. Hoy, I.M. Mills, G. Strey · Molecular Physics · 1972 · 952 citations

, , +15

Frequency and Zero-Point Vibrational Energy Scale Factors for Double-Hybrid Density Functionals (and Other Selected Methods): Can Anharmonic Force Fields Be Avoided?

Manoj K. Kesharwani, Brina Brauer, Jan M. L. Martin · The Journal of Physical Chemistry A · 2014 · 650 citations · Full text

, , +17

Computing vibrational spectra from ab initio molecular dynamics

Martin A. Thomas, Martin Brehm, Reinhold Fligg et al. · Physical Chemistry Chemical Physics · 2013 · 597 citations

, , +17

SnSe: a remarkable new thermoelectric material

Li‐Dong Zhao, Cheng Chang, Gangjian Tan et al. · Energy & Environmental Science · 2016 · 567 citations

, , +17

1–5 of 2.7K

Authors

5.4K

  1. RB
    R. Benny Gerber

    Hebrew University of Jerusalem, Israel

    36 publications · 2.5K citations

    27

    h-index

  2. VB
    Vincenzo Barone

    Scuola Normale Superiore, Italy

    31 publications · 5K citations

    25

    h-index

  3. JM
    Joel M. Bowman

    Emory University, United States

    26 publications · 1.3K citations

    20

    h-index

  4. JB
    Julien Bloino

    Scuola Normale Superiore, Italy

    20 publications · 2.2K citations

    19

    h-index

  5. JO
    John Overend

    University of Minnesota, United States

    23 publications · 1.1K citations

    18

    h-index

1–5 of 5.4K

Institutions

1.3K

  1. University of California, Irvine

    Irvine, United States

    34 h-index

    108 publications

    7.5K citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    34 h-index

    276 publications

    10.3K citations

  3. Hebrew University of Jerusalem

    Jerusalem, Israel

    32 h-index

    107 publications

    6K citations

  4. University of California, Berkeley

    Berkeley, United States

    27 h-index

    88 publications

    6.4K citations

  5. Ames Research Center

    Mountain View, United States

    27 h-index

    52 publications

    4K citations

  6. University of Cambridge

    Cambridge, United Kingdom

    25 h-index

    69 publications

    3.4K citations

  7. University of Minnesota

    Minneapolis, United States

    25 h-index

    77 publications

    5.7K citations

  8. Sorbonne Université

    Paris, France

    25 h-index

    97 publications

    4.6K citations

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Venues

  1. The Journal of Chemical Physics

    640 publications · 36.7K citations

    94

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  2. The Journal of Physical Chemistry A

    219 publications · 10.8K citations

    51

    h-index

  3. Chemical Physics Letters

    134 publications · 4.9K citations

    38

    h-index

  4. Physical Chemistry Chemical Physics

    PCCP · 104 publications · 5.1K citations

    38

    h-index

  5. Physical review. B, Condensed matter

    PRB · 69 publications · 4.4K citations

    34

    h-index

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