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Towards more realistic molecular modeling of catalysis with density functional theory: Combined QM/MM and ab initio molecular dynamics methods

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34712Woo.pdf (9.81 MB)

Date

1998

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Bibliography: p. 186-198
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Citation

Woo, T. K. (1998). Towards more realistic molecular modeling of catalysis with density functional theory: Combined QM/MM and ab initio molecular dynamics methods (Doctoral thesis, University of Calgary, Calgary, Canada). Retrieved from https://prism.ucalgary.ca. doi:10.11575/PRISM/13774

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http://hdl.handle.net/1880/26147
 http://hdl.handle.net/1880/106159

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