Assessment of Different Quantum Mechanical Methods for the Prediction of Structure and Cohesive Energy of Molecular Crystals-Reference-Cited by-同舟云学术

Assessment of Different Quantum Mechanical Methods for the Prediction of Structure and Cohesive Energy of Molecular Crystals

Published:2016-06-29 Issue:7 Volume:12 Page:3340-3352
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cutini Michele¹,Civalleri Bartolomeo¹,Corno Marta¹,Orlando Roberto¹,Brandenburg Jan Gerit²,Maschio Lorenzo¹,Ugliengo Piero¹

Affiliation:

1. Department of Chemistry and NIS (Nanostructured Interfaces and Surfaces) Center, University of Turin, Via P. Giuria 7, 10125 Turin, Italy

2. Mulliken Center of Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie der Universität Bonn, Beringstraße 4, 53115 Bonn, Germany

Funder

Ministero dell?Istruzione, dell?Universit? e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00304

Reference77 articles.

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4. A Major Advance in Crystal Structure Prediction

5. Reilly, A. M.Report on the Sixth Blind Test of Organic Crystal-Structure Prediction Methods.Acta Cryst. B 2016, accepted

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