The effect of numerical error on the reproducibility of molecular geometry optimizations-Reference-Cited by-同舟云学术

The effect of numerical error on the reproducibility of molecular geometry optimizations

Published:2007-12-06 Issue:1 Volume:22 Page:39-51
ISSN:0920-654X
Container-title:Journal of Computer-Aided Molecular Design
language:en
Short-container-title:J Comput Aided Mol Des

Author:

Williams Christopher I.,Feher Miklos

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery

Link

http://link.springer.com/content/pdf/10.1007/s10822-007-9154-7.pdf

Reference33 articles.

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2. Hayes B (2003) A lucid interval. Am Scientist 91:484–488

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4. Lorenz E (1996) The essence of Chaos. University of Washington Press, Seattle. ISBN: 0295975148

5. Gleick J (1987) Chaos: making a new Science. Penguin Books, New York. ISBN: 0140092501

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