 Date: 2012-08-16 12:29:06Molecular modelling Austin Model 1 Molecular dynamics Force field Fragment molecular orbital QM/MM Hartree–Fock method Mulliken population analysis NDDO Chemistry Computational chemistry Quantum chemistry | |  ohio2/yjp-yjp/yjp-yjp/yjp99907/yjp5958d07z xppws 23:ver[removed]:10 Msc: jp-2008-04512f TEID: kbg00 BATID: jp10c111 J. Phys. Chem. B XXXX, xxx, [removed]
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