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Zeitschrift für Kristallographie - Crystalline Materials

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Pöttgen, Rainer / Schmahl, Wolfgang / Tiekink, E. R. T. / Zou, Xiaodong

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Determination, prediction, and understanding of structures, using the energy landscapes of chemical systems – Part II

J. C. Schön / Martin Jansen

Citation Information: Zeitschrift für Kristallographie/International journal for structural, physical, and chemical aspects of crystalline materials. Volume 216, Issue 7/2001, Pages 361–383, ISSN (Print) 0044-2968, DOI: 10.1524/zkri.216.7.361.20362, September 2009

Publication History

Published Online:
2009-09-25

Abstract

In the past decade, new theoretical approaches have been developed to determine, predict and understand the struc-ture of chemical compounds. The central element of these methods has been the investigation of the energy landscape of chemical systems. Applications range from extended crystalline and amorphous compounds over clusters and molecular crystals to proteins. In this review, we are going to give an introduction to energy landscapes and methods for their investigation, together with a number of examples. These include structure prediction of extended and mo-lecular crystals, structure prediction and folding of proteins, structure analysis of zeolites, and structure determination of crystals from powder diffraction data.

Citing Articles

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[1]
M. R. Farrow, Y. Chow, and S. M. Woodley
Phys. Chem. Chem. Phys., 2014, Volume 16, Number 39, Page 21119
[2]
Cheng Shang, Xiao-Jie Zhang, and Zhi-Pan Liu
Physical Chemistry Chemical Physics, 2014, Volume 16, Number 33, Page 17845
[3]
Rafael Pacheco-Contreras, Dora J. Borbón-González, Maribel Dessens-Félix, Lauro Oliver Paz-Borbón, Roy L. Johnston, J. Christian Schön, Martin Jansen, and Alvaro Posada-Amarillas
RSC Advances, 2013, Volume 3, Number 29, Page 11571
[4]
Sven Heiles and Roy L. Johnston
International Journal of Quantum Chemistry, 2013, Volume 113, Number 18, Page 2091
[5]
Karl Heinz Hoffmann and Johann Christian Schön
The European Physical Journal B, 2013, Volume 86, Number 5
[6]
R. Hundt, J. C. Schön, S. Neelamraju, J. Zagorac, and M. Jansen
Journal of Applied Crystallography, 2013, Volume 46, Number 3, Page 587
[7]
A. Kulkarni, J. C. Schön, K. Doll, and M. Jansen
Chemistry - An Asian Journal, 2013, Volume 8, Number 4, Page 743
[8]
S. Neelamraju, A. Bach, J. C. Schön, D. Fischer, and M. Jansen
The Journal of Chemical Physics, 2012, Volume 137, Number 19, Page 194319
[9]
Scott M. Woodley and Alexey A. Sokol
Angewandte Chemie International Edition, 2012, Volume 51, Number 16, Page 3752
[10]
Klaus Doll and Martin Jansen
Angewandte Chemie International Edition, 2011, Volume 50, Number 20, Page 4627
[11]
Armel Le Bail
Powder Diffraction, 2008, Volume 23, Number S1, Page 5
[12]
Harald O. Jeschke, L. Andrea Salguero, Roser Valentí, Christian Buchsbaum, Martin U. Schmidt, and Matthias Wagner
Comptes Rendus Chimie, 2007, Volume 10, Number 1-2, Page 82
[13]
Martin Jansen, Ilya V. Pentin, and J. Christian Schön
Angewandte Chemie International Edition, 2012, Volume 51, Number 1, Page 132
[14]
Scott Habershon, Kenneth D.M. Harris, Roy L. Johnston, Giles W. Turner, and Jennifer M. Johnston
Chemical Physics Letters, 2002, Volume 353, Number 3-4, Page 185
[15]
Bjarne Andresen
Angewandte Chemie, 2011, Volume 123, Number 12, Page 2742
[16]
Klaus Doll and Martin Jansen
Angewandte Chemie, 2011, Volume 123, Number 20, Page 4723
[17]
J. Christian Schön, Klaus Doll, and Martin Jansen
physica status solidi (b), 2010, Volume 247, Number 1, Page 23
[18]
Željko P. Čančarević, J. Christian Schön, and Martin Jansen
Chemistry - An Asian Journal, 2008, Volume 3, Number 3, Page 561
[19]
J. C. Sch?n, I. V. Pentin, and M. Jansen
Physical Chemistry Chemical Physics, 2006, Volume 8, Number 15, Page 1778
[20]
Yvonne Liebold-Ribeiro, Dieter Fischer, and Martin Jansen
Angewandte Chemie International Edition, 2008, Volume 47, Number 23, Page 4428
[21]
K. Doll, J. C. Schön, and M. Jansen
Physical Chemistry Chemical Physics, 2007, Volume 9, Number 46, Page 6128
[22]
Caroline Mellot-Draznieks
Journal of Materials Chemistry, 2007, Volume 17, Number 41, Page 4348
[23]
Željko P. Čančarević, J. Christian Schön, and Martin Jansen
Chemistry - A European Journal, 2007, Volume 13, Number 26, Page 7330
[24]
Scott M. Woodley
Phys. Chem. Chem. Phys., 2007, Volume 9, Number 9, Page 1070
[25]
I. V. Pentin, J. C. Schön, and M. Jansen
The Journal of Chemical Physics, 2007, Volume 126, Number 12, Page 124508
[26]
L Andrea Salguero, Harald O Jeschke, Badiur Rahaman, Tanusri Saha-Dasgupta, Christian Buchsbaum, Martin U Schmidt, and Roser Valentí
New Journal of Physics, 2007, Volume 9, Number 2, Page 26
[27]
Martin Jansen, J. Christian Schön, and Leo van Wüllen
Angewandte Chemie International Edition, 2006, Volume 45, Number 26, Page 4244
[28]
Martin Jansen and J. Christian Schön
Angewandte Chemie International Edition, 2006, Volume 45, Number 21, Page 3406
[29]
Martin Jansen and J. Christian Schön
Angewandte Chemie, 2006, Volume 118, Number 21, Page 3484
[30]
Mercouri G. Kanatzidis, Rainer Pöttgen, and Wolfgang Jeitschko
Angewandte Chemie, 2005, Volume 117, Number 43, Page 7156
[31]
J C Sch n, M A C Wevers, and M Jansen
Journal of Physics: Condensed Matter, 2003, Volume 15, Number 32, Page 5479
[32]
Scott M. Woodley, Alexey A. Sokol, and C. Richard A. Catlow
Zeitschrift f�r anorganische und allgemeine Chemie, 2004, Volume 630, Number 13-14, Page 2343

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