Comment on “Reaction Coordinates and Pathways of Mechanochemical Transformations”-Reference-Cited by-同舟云学术

Comment on “Reaction Coordinates and Pathways of Mechanochemical Transformations”

Published:2016-02-16 Issue:9 Volume:120 Page:2644-2645
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Quapp Wolfgang¹,Bofill Josep Maria²

Affiliation:

1. Mathematisches Institut, Universität Leipzig, PF 100920, D-04009 Leipzig, Germany

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

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.5b12670

Reference16 articles.

1. Reaction Coordinates and Pathways of Mechanochemical Transformations

2. Analysis of an energy minimization method for locating transition states on potential energy hypersurfaces

3. Use and abuse of the distinguished-coordinate method for transition-state structure searching

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

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

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