Concepedia

Raman Spectroscopy Simulation

Raman Spectroscopy Simulation is a computational methodology that models the inelastic scattering of photons by molecular vibrations to predict Raman spectral signatures of materials under specified physical conditions.

505

Publications

20K

Citations

1.7K

Authors

704

Institutions

Publications per year

2017–2026

132

Parents

Publications

505

Deep learning and artificial intelligence methods for Raman and surface-enhanced Raman scattering

Félix Lussier, Vincent Thibault, Benjamin Charron et al. · TrAC Trends in Analytical Chemistry · 2020 · 650 citations

, , +16

The prediction of Raman spectra of platinum(II) anticancer drugs by density functional theory

Danuta Michalska, Rafał Wysokiński · Chemical Physics Letters · 2005 · 514 citations

, , +16

Structural analysis of char by Raman spectroscopy: Improving band assignments through computational calculations from first principles

Matthew Smith, Ian Dallmeyer, Timothy J. Johnson et al. · Carbon · 2016 · 446 citations · Full text

, , +16

Infrared and Raman Spectroscopy of Liquid Water through “First-Principles” Many-Body Molecular Dynamics

Gregory R. Medders, Francesco Paesani · Journal of Chemical Theory and Computation · 2015 · 281 citations

, , +17

Simulation of IR and Raman spectra based on scaled DFT force fields: a case study of 2-(methylthio)benzonitrile, with emphasis on band assignment

V. Krishnakumar, G. Keresztury, Tom Sundius et al. · Journal of Molecular Structure · 2004 · 217 citations

, , +16

1–5 of 505

Authors

1.7K

  1. PB
    Petr Bouř

    Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry, Czechia

    10 publications · 482 citations

    10

    h-index

  2. SL
    Sandra Luber

    University of Zurich, Switzerland

    7 publications · 295 citations

    7

    h-index

  3. YT
    Yoshitaka Tanimura

    Kyoto University, Japan

    7 publications · 227 citations

    7

    h-index

  4. LJ
    Lasse Jensen

    Pennsylvania State University, United States

    6 publications · 155 citations

    6

    h-index

  5. DL
    David Lee Phillips

    University of Hong Kong, Hong Kong SAR China

    6 publications · 233 citations

    6

    h-index

1–5 of 1.7K

Institutions

704

  1. Centre National de la Recherche Scientifique

    Paris, France

    17 h-index

    74 publications

    2K citations

  2. Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry

    Prague, Czechia

    11 h-index

    33 publications

    1.7K citations

  3. Rutherford Appleton Laboratory

    Didcot, United Kingdom

    9 h-index

    35 publications

    3.5K citations

  4. University of Bologna

    Bologna, Italy

    9 h-index

    26 publications

    1.5K citations

  5. University of Zurich

    Zurich, Switzerland

    9 h-index

    14 publications

    567 citations

  6. Chinese Academy of Sciences

    Beijing, China

    8 h-index

    19 publications

    366 citations

  7. Kyoto University

    Kyoto, Japan

    8 h-index

    22 publications

    741 citations

  8. Charles University

    Prague, Czechia

    8 h-index

    19 publications

    1.1K citations

1–8 of 704

Venues

  1. The Journal of Chemical Physics

    67 publications · 2.7K citations

    33

    h-index

  2. Journal of Raman Spectroscopy

    JRS · 34 publications · 789 citations

    18

    h-index

  3. The Journal of Physical Chemistry A

    25 publications · 950 citations

    18

    h-index

  4. 15

    h-index

  5. Journal of Molecular Structure

    16 publications · 546 citations

    13

    h-index

1–5