Energy Ranking of Molecular Crystals Using Density Functional Theory Calculations and an Empirical van der Waals Correction-Reference-Cited by-同舟云学术

Energy Ranking of Molecular Crystals Using Density Functional Theory Calculations and an Empirical van der Waals Correction

Published:2005-07-21 Issue:32 Volume:109 Page:15531-15541
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Neumann Marcus A.¹,Perrin Marc-Antoine¹

Affiliation:

1. Avant-garde Materials Simulation SARL, 30 bis rue du Vieil Abreuvoir, 78100 Saint Germain en Laye, France, and Aventis Pharma S.A., Centre de Recherche de Paris, 13 quai Jules Guesde, 94400 Vitry-sur-Seine, France

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp050121r

Reference44 articles.

1. A test of crystal structure prediction of small organic molecules

2. Crystal structure prediction of small organic molecules: a second blind test

3. Fluctuation attraction in condensed matter: A nonlocal functional approach

4. van der Waals Interactions in Density-Functional Theory

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