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Theoretical and Computational Chemistry Series
London Dispersion Forces in Molecules, Solids and Nano-structures: An Introduction to Physical Models and Computational Methods
By
John Dobson;
John Dobson
Professor of Physics, Griffith University, Australia
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Georg Jansen;
Georg Jansen
University of Duisburg-Essen, Germany
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Tim Gould
Tim Gould
Griffith University, Australia
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Hardback ISBN:
978-1-78262-045-7
PDF ISBN:
978-1-78262-386-1
EPUB ISBN:
978-1-83916-018-9
Special Collection:
2020 ebook collection
No. of Pages:
434
Publication date:
03 Apr 2020
Book Chapter
CHAPTER 13: Summary of Recommended Methods
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Published:03 Apr 2020
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Special Collection: 2020 ebook collection
Page range:
300 - 307
Citation
London Dispersion Forces in Molecules, Solids and Nano-structures: An Introduction to Physical Models and Computational Methods, The Royal Society of Chemistry, 2020, pp. 300-307.
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We offer some advice for researchers seeking to model dispersion (van der Waals) interactions in various situations. We discuss and compare the capabilities of a number of popular software packages for this purpose.
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