Ab Initio and DFT Potential Energy Surfaces for Cyanuric Chloride Reactions
Author:
Affiliation:
1. U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005-5066
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp970009w
Reference26 articles.
1. Ab Initio Study of Reactions of sym-Triazine
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2. A Re-Examination of the Reaction of 3,4-Diamino[1,2,5]oxadiazole with Glyoxal;Journal of Heterocyclic Chemistry;2012-07
3. Anisotropic Repulsion Potentials for Cyanuric Chloride (C3N3Cl3) and Their Application to Modeling the Crystal Structures of Azaaromatic Chlorides;The Journal of Physical Chemistry A;2001-10-02
4. DFT and ab Initio Study of the Unimolecular Decomposition of the Lowest Singlet and Triplet States of Nitromethane;The Journal of Physical Chemistry A;1998-11-01
5. The Application of Density Functional Theory to Four Problems in Inorganic Chemistry: A Comparison to Traditional ab Initio Methods;Inorganic Chemistry;1998-05-21
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