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Interfacing ab Initio Quantum Mechanical Method with Classical Drude Osillator Polarizable Model for Molecular Dynamics Simulation of Chemical Reactions
Lu, Zhenyu, Zhang, YingkaiVolume:
4
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct800116e
Date:
August, 2008
File:
PDF, 917 KB
english, 2008