Role of Electrostatic Interactions in Determining the Crystal Structures of Polar Organic Molecules. A Distributed Multipole Study-Reference-Cited by-同舟云学术

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

Published:1996-01-01 Issue:18 Volume:100 Page:7352-7360
ISSN:0022-3654
Container-title:The Journal of Physical Chemistry
language:en
Short-container-title:J. Phys. Chem.

Author:

Coombes David S.¹,Price Sarah L.¹,Willock David J.¹,Leslie Maurice¹

Affiliation:

1. Christopher Ingold Laboratories, Chemistry Department, University College London, 20 Gordon Street, London WC1H 0AJ, England, and EPSRC Daresbury Laboratory, Warrington WA4 4AD, England

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,General Engineering

Link

https://pubs.acs.org/doi/pdf/10.1021/jp960333b

Reference38 articles.

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2. Empirical intermolecular potentials for organic crystals: the `6-exp' approximation revisited

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4. Desiraju, G. R.Crystal Engineering: The design of organic solids; Elsevier: Amsterdam, 1989; p 56.

5. Vibrational frequencies of the cyanocarbene (HCCN) molecule. A near degeneracy between bent cyanocarbene and linear allene-related geometries

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