Reaction rates in a theory of mechanochemical pathways-Reference-Cited by-同舟云学术

Reaction rates in a theory of mechanochemical pathways

Published:2016-08-24 Issue:27 Volume:37 Page:2467-2478
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Quapp Wolfgang¹,Bofill Josep Maria²

Affiliation:

1. Department of Mathematics; University Leipzig; PF 100920 Leipzig D-04009 Germany

2. Departament de Química Inorgànica i Orgànica, Secció de Química Orgànica; Universitat de Barcelona; and Institut de Química Teòrica i Computacional, Universitat de Barcelona, (IQTCUB); Martí i Franquès, 1 Barcelona 08028 Spain

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference84 articles.

1. Searching for saddle points of potential energy surfaces by following a reduced gradient

2. Bifurcation of reaction pathways: the set of valley ridge inflection points of a simple three-dimensional potential energy surface

3. On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states

4. Finding transition states using reduced potential-energy surfaces

5. A new look at the reduced-gradient-following path

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