Towards more realistic computational modeling of homogenous catalysis by density functional theory: combined QM/MM and ab initio molecular dynamics
- 12 May 1999
- journal article
- Published by Elsevier in Catalysis Today
- Vol. 50 (3-4), 479-500
- https://doi.org/10.1016/s0920-5861(98)00483-0
Abstract
No abstract availableKeywords
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