Prediction and Calculation of Crystal Structures Methods and Applica
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medici
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Şule Atahan-Evrenk Alán Aspuru-Guzik Editors
Prediction and Calculation of Crystal Structures Methods and Applications
345
Topics in Current Chemistry
Editorial Board: K.N. Houk, Los Angeles, CA, USA C.A. Hunter, Sheffield, UK M.J. Krische, Austin, TX, USA J.-M. Lehn, Strasbourg, France S.V. Ley, Cambridge, UK M. Olivucci, Siena, Italy J. Thiem, Hamburg, Germany M. Venturi, Bologna, Italy C.-H. Wong, Taipei, Taiwan H.N.C. Wong, Shatin, Hong Kong
For further volumes: http://www.springer.com/series/128
Aims and Scope The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage includes all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether at the university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented. A description of the laboratory procedures involved is often useful to the reader. The coverage should not be exhaustive in data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Discussion of possible future research directions in the area is welcome. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Şule Atahan-Evrenk Alán Aspuru-Guzik l
Editors
Prediction and Calculation of Crystal Structures Methods and Applications
With contributions by C.S. Adjiman A. Aspuru-Guzik S. Atahan-Evrenk G.J.O. Beran J.G. Brandenburg S. Grimme G. Hautier Y. Heit R.G. Hennig Y. Huang A.V. Kazantsev K. Nanda A.R. Oganov C.C. Pantelides B.C. Revard R.Q. Snurr W.W. Tipton S. Wen C.E. Wilmer X.-F. Zhou Q. Zhu
Editors S¸ule Atahan-Evrenk Ala´n Aspuru-Guzik Dept. of Chemistry and Chemical Biology Harvard University Cambridge Massachusetts USA
ISSN 0340-1022 ISSN 1436-5049 (electronic) ISBN 978-3-319-05773-6 ISBN 978-3-319-05774-3 (eBook) DOI 10.1007/978-3-319-05774-3 Springer Cham Heidelberg New York Dordrecht London Library of Congress Control Number: 2014938743 # Springer International Publishing Switzerland 2014 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodolo
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