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Results: 1-5 |
Results: 5

Authors: Halgren, TA Damm, W
Citation: Ta. Halgren et W. Damm, Polarizable force fields, CURR OP STR, 11(2), 2001, pp. 236-242

Authors: Halgren, TA Roberts, JD Horner, JH Martinez, FN Tronche, C Newcombe, M
Citation: Ta. Halgren et al., Kinetics and equilibrium constants for reactions of alpha-phenyl-substituted cyclopropylcarbinyl radicals, J AM CHEM S, 122(13), 2000, pp. 2988-2994

Authors: Halgren, TA
Citation: Ta. Halgren, MMFF VI. MMFF94s option for energy minimization studies, J COMPUT CH, 20(7), 1999, pp. 720-729

Authors: Halgren, TA
Citation: Ta. Halgren, MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interactionenergies and geometries, J COMPUT CH, 20(7), 1999, pp. 730-748

Authors: Bush, BL Bayly, CI Halgren, TA
Citation: Bl. Bush et al., Consensus bond-charge increments fitted to electrostatic potential or field of many compounds: Application to MMFF94 training set, J COMPUT CH, 20(14), 1999, pp. 1495-1516
Risultati: 1-5 |