Concepedia

Classical Trajectory Simulations

Classical Trajectory Simulations is a computational method in reaction dynamics that belongs to the class of molecular simulation techniques, distinguished by its use of classical mechanics to model the time evolution of atomic trajectories on a potential energy surface for the purpose of studying collision-induced chemical reactions.

855

Publications

43.1K

Citations

1.6K

Authors

486

Institutions

Publications per year

2017–2026

55

Variants

Classical Trajectory Simulation

Parents

Publications

855

Parametrization of the ion–polar molecule collision rate constant by trajectory calculations

Timothy A. Su, Walter J. Chesnavich · The Journal of Chemical Physics · 1982 · 1.4K citations

, , +12

Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H2)

Martin Karplus, R. N. Porter, R. D. Sharma · The Journal of Chemical Physics · 1965 · 1K citations

, , +17

Dynamics of molecules and chemical reactions

Choice Reviews Online · 1997 · 643 citations

, , +17

Short range force effects in semiclassical molecular line broadening calculations

D. Robert, J. Bonamy · Journal de physique · 1979 · 624 citations · Full text

, , +17

Vectorization of the general Monte Carlo classical trajectory program VENUS

Xiche Hu, William L. Hase, Tony Pirraglia · Journal of Computational Chemistry · 1991 · 418 citations

, , +17

1–5 of 855

Authors

1.6K

  1. WL
    William L. Hase

    Texas Tech University, United States

    30 publications · 2.5K citations

    27

    h-index

  2. DL
    Donald L. Thompson

    Oklahoma State University, United States

    33 publications · 1.3K citations

    22

    h-index

  3. RS
    Reinhard Schinke

    Max Planck Institute for Dynamics and Self-Organization, Germany

    16 publications · 867 citations

    16

    h-index

  4. WH
    William H. Miller

    Lawrence Berkeley National Laboratory, United States

    15 publications · 1.5K citations

    15

    h-index

  5. LM
    Lionel M. Raff

    Oklahoma State University, United States

    16 publications · 496 citations

    13

    h-index

1–5 of 1.6K

Institutions

486

  1. Wayne State University

    Detroit, United States

    25 h-index

    57 publications

    4.8K citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    22 h-index

    54 publications

    2.1K citations

  3. Oklahoma State University

    Stillwater, United States

    21 h-index

    79 publications

    2.6K citations

  4. Hebrew University of Jerusalem

    Jerusalem, Israel

    18 h-index

    47 publications

    3.7K citations

  5. Lawrence Berkeley National Laboratory

    Berkeley, United States

    18 h-index

    53 publications

    3.6K citations

  6. Los Alamos National Laboratory

    Los Alamos, United States

    18 h-index

    35 publications

    2.1K citations

  7. University of California, Irvine

    Irvine, United States

    17 h-index

    45 publications

    2.3K citations

  8. Newcastle University

    Newcastle upon Tyne, United Kingdom

    16 h-index

    24 publications

    960 citations

1–8 of 486

Venues

  1. The Journal of Chemical Physics

    376 publications · 22K citations

    74

    h-index

  2. The Journal of Physical Chemistry A

    64 publications · 2.4K citations

    28

    h-index

  3. Physical Review A

    PRA · 42 publications · 2.2K citations

    23

    h-index

  4. Chemical Physics Letters

    35 publications · 1.2K citations

    20

    h-index

  5. 19

    h-index

1–5