Concepedia

Bond Breaking

Bond Breaking is a chemical process in the context of reaction mechanism modeling and reaction pathways whereby a covalent interaction between two atoms is severed, leading to the formation of distinct molecular fragments through the cleavage of shared electrons.

1.6K

Publications

96.6K

Citations

5.4K

Authors

1.3K

Institutions

Publications per year

2017–2026

325

Parents

Publications

1.6K

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Donald W. Brenner, Olga Shenderova, Judith A. Harrison et al. · Journal of Physics Condensed Matter · 2002 · 3.7K citations · Full text

, , +17

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

Jess Wellendorff, Keld T. Lundgaard, Andreas Møgelhøj et al. · Physical Review B · 2012 · 1.5K citations · Full text

, , +17

The full CCSDT model for molecular electronic structure

Jozef Noga, Rodney J. Bartlett · The Journal of Chemical Physics · 1987 · 1.4K citations

, , +16

Structural flexibility of carbon nanotubes

Sumio Iijima, C. J. Brabec, Amitesh Maiti et al. · The Journal of Chemical Physics · 1996 · 1.2K citations

, , +17

Role of Solvent-Host Interactions That Lead to Very Large Swelling of Hybrid Frameworks

Christian Serre, Caroline Mellot‐Draznieks, Suzy Surblé et al. · Science · 2007 · 1.1K citations

, , +11

1–5 of 1.6K

Authors

5.4K

  1. PP
    Piotr Piecuch

    Michigan State University, United States

    21 publications · 2.6K citations

    21

    h-index

  2. MH
    Martin Head‐Gordon

    University of California, Berkeley, United States

    12 publications · 736 citations

    11

    h-index

  3. RJ
    Rodney J. Bartlett

    University of Florida, United States

    10 publications · 2.3K citations

    10

    h-index

  4. JA
    Juán Andrés

    Universitat Jaume I, Spain

    9 publications · 481 citations

    9

    h-index

  5. AI
    Anna I. Krylov

    University of Southern California, United States

    8 publications · 1.7K citations

    8

    h-index

1–5 of 5.4K

Institutions

1.3K

  1. Centre National de la Recherche Scientifique

    Paris, France

    35 h-index

    269 publications

    21.8K citations

  2. Lawrence Berkeley National Laboratory

    Berkeley, United States

    24 h-index

    102 publications

    4.7K citations

  3. University of California, Berkeley

    Berkeley, United States

    24 h-index

    92 publications

    4.4K citations

  4. Michigan State University

    East Lansing, United States

    21 h-index

    63 publications

    5.5K citations

  5. California Institute of Technology

    Pasadena, United States

    21 h-index

    50 publications

    11.4K citations

  6. Stanford University

    Stanford, United States

    21 h-index

    65 publications

    8.7K citations

  7. Chinese Academy of Sciences

    Beijing, China

    20 h-index

    96 publications

    5.9K citations

  8. University of Florida

    Gainesville, United States

    18 h-index

    52 publications

    13.3K citations

1–8 of 1.3K

Venues

  1. The Journal of Chemical Physics

    191 publications · 14K citations

    61

    h-index

  2. Journal of the American Chemical Society

    JACS · 98 publications · 8.2K citations

    53

    h-index

  3. The Journal of Physical Chemistry A

    92 publications · 5.6K citations

    37

    h-index

  4. Physical Review Letters

    PRL · 41 publications · 4.2K citations

    32

    h-index

  5. The Journal of Physical Chemistry C

    54 publications · 2.6K citations

    27

    h-index

1–5