Concepedia

Transition State Orientation

Transition State Orientation is a theoretical framework within chemical kinetics that specifies the spatial and temporal alignment of molecular orbitals and atomic positions at the highest energy point along the reaction coordinate, distinguishing it from other kinetic models by its focus on the precise geometric and electronic configuration critical for determining the reaction pathway and rate.

136

Publications

9.1K

Citations

433

Authors

163

Institutions

Publications per year

2017–2026

10

Parents

Publications

136

Using redundant internal coordinates to optimize equilibrium geometries and transition states

Chunyang Peng, Philippe Y. Ayala, H. Bernhard Schlegel et al. · Journal of Computational Chemistry · 1996 · 2.7K citations

, , +12

Entropic Contributions to Rate Accelerations in Enzymic and Intramolecular Reactions and the Chelate Effect

Michael I. Page, William P. Jencks · Proceedings of the National Academy of Sciences · 1971 · 1K citations · Full text

, , +11

gem-Dialkyl effect in the intramolecular Diels-Alder reaction of 2-furfuryl methyl fumarates: the reactive rotamer effect, the enthalpic basis for acceleration, and evidence for a polar transition state

Michael E. Jung, Jacquelyn Gervay · Journal of the American Chemical Society · 1991 · 257 citations

, , +11

Predictive theory for the combination kinetics of two alkyl radicals

Stephen J. Klippenstein, Yuri Georgievskii, Lawrence B. Harding · Physical Chemistry Chemical Physics · 2006 · 241 citations

, , +15

CdSe Nanoplatelet Films with Controlled Orientation of their Transition Dipole Moment

Yunan Gao, Mark C. Weidman, William A. Tisdale · Nano Letters · 2017 · 194 citations · Full text

, , +17

1–5 of 136

Authors

433

  1. EW
    Erik W. Thulstrup

    Aarhus University, Denmark

    3 publications · 154 citations

    3

    h-index

  2. DW
    David W. Pratt

    University of Pittsburgh, United States

    3 publications · 83 citations

    3

    h-index

  3. HB
    H. Bernhard Schlegel

    Wayne State University, United States

    2 publications · 2.8K citations

    2

    h-index

  4. LS
    Luis S. Froufe‐Pérez

    University of Fribourg, Switzerland

    2 publications · 32 citations

    2

    h-index

  5. MJ
    Michael J. Frisch

    Carnegie Mellon University, United States

    2 publications · 2.8K citations

    2

    h-index

1–5 of 433

Institutions

163

  1. Aarhus University

    Aarhus, Denmark

    4 h-index

    5 publications

    313 citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    4 h-index

    14 publications

    579 citations

  3. University of Stuttgart

    Stuttgart, Germany

    3 h-index

    9 publications

    139 citations

  4. University of Illinois Urbana-Champaign

    Urbana, United States

    3 h-index

    8 publications

    319 citations

  5. Institute of Atomic and Molecular Sciences, Academia Sinica

    Taipei, Taiwan

    3 h-index

    6 publications

    127 citations

  6. University of Pittsburgh

    Pittsburgh, United States

    3 h-index

    7 publications

    210 citations

  7. Schools of Visual Arts, The Royal Danish Academy of Fine Arts

    Copenhagen, Denmark

    3 h-index

    5 publications

    155 citations

  8. University of California, Los Angeles

    Los Angeles, United States

    3 h-index

    10 publications

    440 citations

1–8 of 163

Venues

  1. The Journal of Chemical Physics

    19 publications · 855 citations

    18

    h-index

  2. Chemical Physics Letters

    16 publications · 541 citations

    12

    h-index

  3. Journal of the American Chemical Society

    JACS · 7 publications · 477 citations

    7

    h-index

  4. Physical Chemistry Chemical Physics

    PCCP · 6 publications · 374 citations

    6

    h-index

  5. The Journal of Physical Chemistry A

    4 publications · 84 citations

    4

    h-index

1–5