Concepedia

Infrared Spectroscopy Simulation

Infrared Spectroscopy Simulation is a computational methodology that models the interaction of infrared radiation with molecular systems to predict vibrational absorption spectra based on quantum mechanical or classical force field descriptions of molecular dynamics.

761

Publications

36.8K

Citations

2.4K

Authors

823

Institutions

Publications per year

2017–2026

163

Parents

Publications

761

Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water

Christopher J. Fecko, Joel D. Eaves, Joseph J. Loparo et al. · Science · 2003 · 972 citations

, , +17

Machine learning molecular dynamics for the simulation of infrared spectra

Chemical Science · 2017 · 512 citations · Full text

, , +16

Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation

Vincenzo Barone, Małgorzata Biczysko, Julien Bloino · Physical Chemistry Chemical Physics · 2013 · 466 citations

, , +17

Infrared Spectroscopy of Carbon Materials:  A Quantum Chemical Study of Model Compounds

E. Fuente, J.Á. Menéndez, M.A. Dı́ez et al. · The Journal of Physical Chemistry B · 2003 · 429 citations

, , +17

Intramolecular Dynamics from Eigenstate-Resolved Infrared Spectra

Kevin K. Lehmann, G. Scoles, Brooks H. Pate · Annual Review of Physical Chemistry · 1994 · 390 citations

, , +13

1–5 of 761

Authors

2.4K

  1. MC
    Minhaeng Cho

    Korea University, South Korea

    18 publications · 1.2K citations

    18

    h-index

  2. TL
    Thomas L. C. Jansen

    University of Groningen, Netherlands

    16 publications · 924 citations

    15

    h-index

  3. MG
    Marie‐Pierre Gaigeot

    Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement, France

    10 publications · 530 citations

    10

    h-index

  4. MB
    Marek Boczar

    Jagiellonian University, Poland

    9 publications · 295 citations

    9

    h-index

  5. SM
    Shaul Mukamel

    University of California, Irvine, United States

    9 publications · 353 citations

    9

    h-index

1–5 of 2.4K

Institutions

823

  1. Centre National de la Recherche Scientifique

    Paris, France

    30 h-index

    275 publications

    13.8K citations

  2. Korea University

    Seoul, South Korea

    18 h-index

    48 publications

    3.6K citations

  3. Sorbonne Université

    Paris, France

    17 h-index

    67 publications

    5.2K citations

  4. University of Groningen

    Groningen, The Netherlands

    16 h-index

    39 publications

    2K citations

  5. Université Paris-Sud

    Orsay, France

    15 h-index

    28 publications

    1.1K citations

  6. Kyoto University

    Kyoto, Japan

    15 h-index

    39 publications

    1.3K citations

  7. Scuola Normale Superiore

    Pisa, Italy

    13 h-index

    35 publications

    2.9K citations

  8. Jagiellonian University

    Krakow, Poland

    12 h-index

    40 publications

    1.3K citations

1–8 of 823

Venues

  1. The Journal of Chemical Physics

    135 publications · 7.4K citations

    49

    h-index

  2. The Journal of Physical Chemistry A

    63 publications · 3.8K citations

    33

    h-index

  3. The Journal of Physical Chemistry B

    68 publications · 3.4K citations

    32

    h-index

  4. Journal of the American Chemical Society

    JACS · 25 publications · 2.2K citations

    24

    h-index

  5. Physical Chemistry Chemical Physics

    PCCP · 45 publications · 1.5K citations

    22

    h-index

1–5