Concepedia

Open-shell Reactivity

Open-Shell Reactivity is a theoretical framework in computational chemistry that characterizes the chemical behavior and reaction mechanisms of open-shell systems by explicitly accounting for unpaired electrons and their spin-dependent interactions.

86

Publications

4.5K

Citations

346

Authors

134

Institutions

Publications per year

2017–2026

23

Parents

Publications

86

Kinetically Blocked Stable Heptazethrene and Octazethrene: Closed-Shell or Open-Shell in the Ground State?

Yuan Li, Wee-Kuan Heng, Byung Sun Lee et al. · Journal of the American Chemical Society · 2012 · 302 citations

, , +14

From open-shell singlet diradicaloids to polyradicaloids

Tullimilli Y. Gopalakrishna, Wangdong Zeng, Xuefeng Lu et al. · Chemical Communications · 2018 · 285 citations

, , +14

Local softness and chemical reactivity in the molecules CO, SCN− and H2CO

Chengteh Lee, Weitao Yang, Robert G. Parr · Journal of Molecular Structure THEOCHEM · 1988 · 273 citations

, , +15

An investigation of the F+H2 reaction based on a full <i>ab initio</i> description of the open-shell character of the F(2P) atom

Millard H. Alexander, David E. Manolopoulos, Hans‐Joachim Werner · The Journal of Chemical Physics · 2000 · 260 citations

, , +17

Enhanced reactivity of twisted amides inside a molecular cage

Hiroki Takezawa, Kosuke Shitozawa, Makoto Fujita · Nature Chemistry · 2020 · 254 citations

, , +14

1–5 of 86

Authors

346

  1. JW
    Jishan Wu

    National University of Singapore, Singapore

    4 publications · 646 citations

    4

    h-index

  2. SN
    Shinsuke Nishida

    The University of Osaka, Japan

    3 publications · 240 citations

    3

    h-index

  3. KN
    Kazuhiro Nakasuji

    The University of Osaka, Japan

    3 publications · 240 citations

    3

    h-index

  4. IM
    Isao Morishima

    Kyoto University, Japan

    3 publications · 51 citations

    3

    h-index

  5. KS
    Kazunobu Sato

    Osaka City University, Japan

    3 publications · 240 citations

    3

    h-index

1–5 of 346

Institutions

134

  1. The University of Osaka

    Osaka, Japan

    5 h-index

    24 publications

    1.1K citations

  2. Kyoto University

    Kyoto, Japan

    4 h-index

    7 publications

    853 citations

  3. National University of Singapore

    Singapore, Singapore

    4 h-index

    20 publications

    3.2K citations

  4. Indian Institute of Technology Kharagpur

    Kharagpur, India

    3 h-index

    6 publications

    119 citations

  5. The University of Tokyo

    Tokyo, Japan

    3 h-index

    9 publications

    1.1K citations

  6. Institut de Ciència de Materials de Barcelona

    Cerdanyola del Vallès, Spain

    3 h-index

    12 publications

    746 citations

  7. Osaka City University

    Osaka, Japan

    3 h-index

    15 publications

    1K citations

  8. University of Münster

    Münster, Germany

    3 h-index

    7 publications

    269 citations

1–8 of 134

Venues

  1. Journal of the American Chemical Society

    JACS · 16 publications · 1.1K citations

    14

    h-index

  2. Chemical Physics Letters

    5 publications · 116 citations

    5

    h-index

  3. Organic Letters

    OL · 4 publications · 131 citations

    4

    h-index

  4. Physical Chemistry Chemical Physics

    PCCP · 4 publications · 52 citations

    4

    h-index

  5. Angewandte Chemie International Edition

    3 publications · 252 citations

    3

    h-index

1–5