Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theory
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| Description | scientific article published on 7 August 2008 |
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author: Isaiah Sumner Srinivasan S Iyengar |
| Publication date | August 1, 2008 |
| Language | English |
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