Modelling Chemical Reactions Using Empirical Force Fields-Reference-Cited by-同舟云学术

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Modelling Chemical Reactions Using Empirical Force Fields

Published:2017-02-18 Issue: Volume: Page:1-25
ISSN:
Container-title:Theory and Applications of the Empirical Valence Bond Approach
language:
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Author:

Nagy Tibor¹,Meuwly Markus²

Affiliation:

1. Hungarian Academy of Sciences; IMEC, RCNS; Budapest Hungary

2. University of Basel; Department of Chemistry; Switzerland

Publisher

John Wiley & Sons, Ltd

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/9781119245544.ch1/fullpdf

Reference107 articles.

1. Quantum mechanical interpretation of the process of activation;London;Zeitschrift für Elektrochemie,1929

2. Concerning simple gas reactions;Eyring;Zeitschrift für Physikalische Chemie. Abteilung B,1931

3. On a new method of drawing the potential energy surface;Sato;Journal of Chemical Physics,1955

4. Potential energy surface of the system of three atoms;Sato;Journal of Chemical Physics,1955

5. A method of diatomics in molecules. 1. General theory and application to H2O;Ellison;Journal of the American Chemical Society,1963

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1. The potential for machine learning in hybrid QM/MM calculations;The Journal of Chemical Physics;2018-06-28

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