Density functional theory including dispersion corrections for intermolecular interactions in a large benchmark set of biologically relevant molecules
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2006/CP/B612585A
Reference70 articles.
1. The World of Non-Covalent Interactions: 2006
2. Magnitude and Physical Origin of Intermolecular Interactions of Aromatic Molecules: Recent Progress of Computational Studies
3. van der Waals Molecules III: Introduction
4. Interactions with Aromatic Rings
5. Estimates of the Ab Initio Limit for π−π Interactions: The Benzene Dimer
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