Transferable ab Initio Intermolecular Potentials. 1. Derivation from Methanol Dimer and Trimer Calculations-Reference-Cited by-同舟云学术

Transferable ab Initio Intermolecular Potentials. 1. Derivation from Methanol Dimer and Trimer Calculations

Published:1999-11-13 Issue:48 Volume:103 Page:9872-9882
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Wijnand T. M. Mooij,* ¹,van Duijneveldt Frans B.¹,van Duijneveldt-van de Rijdt Jeanne G. C. M.¹,van Eijck Bouke P.¹

Affiliation:

1. Department of Crystal and Structural Chemistry, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands, and Theoretical Chemistry Group, Debye Institute, Utrecht University, Padualaan 14, 3584 CH Utrecht, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp991641n

Reference61 articles.

1. Are Crystal Structures Predictable?

2. Ab initio prediction of molecular crystal structures

3. Predictions of Crystal Packings for Uracil, 6-Azauracil, and Allopurinol: The Interplay between Hydrogen Bonding and Close Packing

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