Payne, MC and Csanyi, G and Albaret, T and De Vita, A (2005) A novel quantum/classical hybrid simulation technique. CHEMPHYSCHEM, 6. pp. 1731-1734. ISSN 1439-4235
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| Item Type: | Article |
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| Uncontrolled Keywords: | ab initio calculations cracks molecular dynamics molecular modeling silicon DENSITY-FUNCTIONAL/MOLECULAR-DYNAMICS LARGE SYSTEMS SILICON FRACTURE SCHEME |
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| Subjects: | UNSPECIFIED |
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| Divisions: | Div C > Materials Engineering |
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| Depositing User: | Cron Job |
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| Date Deposited: | 28 Oct 2011 16:39 |
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| Last Modified: | 20 May 2013 01:33 |
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| DOI: | 10.1002/cphc.200400585 |
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