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Towards more realistic computational modeling of homogenous catalysis by density functional theory: combined QM/MM and ab initio molecular dynamics
Authors: Woo, TK Margl, PM Deng, L Cavallo, L Ziegler, T
Citation: Tk. Woo et al., Towards more realistic computational modeling of homogenous catalysis by density functional theory: combined QM/MM and ab initio molecular dynamics, CATAL TODAY, 50(3-4), 1999, pp. 479-500
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