Anisotropic Repulsion Potentials for Cyanuric Chloride (C3N3Cl3) and Their Application to Modeling the Crystal Structures of Azaaromatic Chlorides-Reference-Cited by-同舟云学术

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Anisotropic Repulsion Potentials for Cyanuric Chloride (C3N3Cl3) and Their Application to Modeling the Crystal Structures of Azaaromatic Chlorides

Published:2001-10-02 Issue:43 Volume:105 Page:9961-9971
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Mitchell John B. O.¹,Price Sarah L.¹,Leslie Maurice²,Buttar David³,Roberts Ron J.⁴

Affiliation:

1. Centre for Theoretical and Computational Chemistry, Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, U.K.

2. CCLRC Daresbury Laboratory, Warrington WA4 4AD, U.K.

3. AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire SK10 4TG, U.K.

4. AstraZeneca, Silk Road Business Park, Charter Way, Macclesfield, Cheshire SK10 2NA, U.K.

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0125350

Reference45 articles.

1. Some new ideas in the theory of intermolecular forces: anisotropic atom-atom potentials

2. Electrostatic predictions of shapes and properties of Van der Waals molecules

3. Role of Electrostatic Interactions in Determining the Crystal Structures of Polar Organic Molecules. A Distributed Multipole Study

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