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Effect of the discrete/continuum boundary on atomistic simulation of a crack tip and its dependency on model size

✍ Scribed by J. Kevin McCoy; Alan J. Markworth


Book ID
116062744
Publisher
Elsevier Science
Year
1987
Weight
332 KB
Volume
21
Category
Article
ISSN
0036-9748

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## Abstract During the past years, the use of combined quantum–classical, QM/MM, methods for the study of complex biomolecular processes, such as enzymatic reactions and photocycles, has increased considerably. The quality of the results obtained from QM/MM calculations is largely dependent on five