Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs-Reference-Cited by-同舟云学术

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Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs

Published:2008-06-28 Issue:24 Volume:128 Page:244708
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Karamertzanis Panagiotis G.,Day Graeme M.,Welch Gareth W. A.,Kendrick John,Leusen Frank J. J.,Neumann Marcus A.,Price Sarah L.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2937446

Reference92 articles.

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

2. A Major Advance in Crystal Structure Prediction

3. Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniques

4. Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam

5. A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital

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