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Theoretical and Computational Chemistry Series
Computational Nanoscience
By
George C. Schatz;
George C. Schatz
Northwestern University, USA
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Gotthard Seifert;
Gotthard Seifert
Technische Universitaet Dresden
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Royal Society of Chemistry
Royal Society of Chemistry
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Edited by
Elena Bichoutskaia;
Elena Bichoutskaia
University of Nottingham, UK
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Jonathan Hirst;
Jonathan Hirst
University of Nottingham, UK
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Kenneth D Jordan;
Kenneth D Jordan
University of Pittsburgh, USA
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Walter Thiel;
Walter Thiel
Max-Planck-Institut für Kohlenforschung, Germany
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Carmay Lim
Carmay Lim
Academia Sinica, Taiwan
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Hardback ISBN:
978-1-84973-133-1
PDF ISBN:
978-1-84973-268-0
Special Collection:
2011 ebook collection
,
2011 ebook collection
,
2011-2015 physical chemistry subject collection
No. of Pages:
444
Publication date:
09 Jun 2011
Book Chapter
Chapter 3: Self-Assembly of Nanoclusters: An Energy Landscape Perspective
By
Dwaipayan Chakrabarti
;
Dwaipayan Chakrabarti
University Chemical Laboratories
Lensfield Road
Cambridge CB2 1EW
UK
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Szilard N. Fejer
;
Szilard N. Fejer
University Chemical Laboratories
Lensfield Road
Cambridge CB2 1EW
UK
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David J. Wales
David J. Wales
University Chemical Laboratories
Lensfield Road
Cambridge CB2 1EW
UK
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-
Published:09 Jun 2011
-
Special Collection: 2011 ebook collection , 2011 ebook collection , 2011-2015 physical chemistry subject collection
Page range:
58 - 81
Citation
D. Chakrabarti, S. N. Fejer, and D. J. Wales, in Computational Nanoscience, ed. E. Bichoutskaia, J. Hirst, K. D. Jordan, W. Thiel, and C. Lim, The Royal Society of Chemistry, 2011, ch. 3, pp. 58-81.
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Judicious design of building blocks is the key to nanofabrication via programmed self-assembly. This overview highlights how a survey of the underlying potential energy surface can provide valuable insight into designing building blocks for efficient self-assembly. Illustrative examples are considered within a recently developed computational framework for geometry optimisation of rigid bodies.
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