KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results†-Reference-Cited by-同舟云学术

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KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results†

Published:2013-11-04 Issue:1 Volume:35 Page:82-93
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Canneaux Sébastien¹²,Bohr Frédéric²,Henon Eric³

Affiliation:

1. University of Lille1 Sciences and Technologies; 59655 Villeneuve d'Ascq Cedex France

2. LISM; EA 4695, University of Reims Champagne-Ardenne; Moulin de la Housse 51687 Reims France

3. ICMR; UMR CNRS 7312, University of Reims Champagne-Ardenne; Moulin de la Housse 51687 Reims France

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23470/fullpdf

Reference39 articles.

1. Multiple-Well, multiple-path unimolecular reaction systems. I. MultiWell computer program suite

2. Energy transfer in master equation simulations: A new approach

3. The Activated Complex and the Absolute Rate of Chemical Reactions.

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