Application of the PM6 method to modeling the solid state.
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Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDockBiochemical Mechanisms for Geographical Adaptations to Novel Toxin Exposures in ButterflyfishOptimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters.Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials.EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions.Theoretical investigation of macrodipoles in supramolecular columnar stackings.Synthesis, Structure and Thermal Behavior of Oxalato-Bridged Rb+ and H3O+ Extended Frameworks with Different Dimensionalities.ONIOM calculations on serotonin degradation by monoamine oxidase B: insight into the oxidation mechanism and covalent reversible inhibition.Stability of rolled-up GaAs nanotubes.Molecular modeling of the piezoelectric effect in the ferroelectric polymer poly(vinylidene fluoride) (PVDF)Phase Behavior and Mesophase Structures of 1,3,5-Benzene- and 1,3,5-Cyclohexanetricarboxamides: Towards an Understanding of the Losing Order at the Transition into the Isotropic PhaseNoncovalent interactions in biochemistryThe calculation of intermolecular interaction energiesPolarization of poly(vinylidene fluoride) and poly(vinylidene fluoride-trifluoroethylene) thin films revealed by emission spectroscopy with computational simulation during phase transition
P2860
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P2860
Application of the PM6 method to modeling the solid state.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
2008年论文
@zh
2008年论文
@zh-cn
name
Application of the PM6 method to modeling the solid state.
@ast
Application of the PM6 method to modeling the solid state.
@en
type
label
Application of the PM6 method to modeling the solid state.
@ast
Application of the PM6 method to modeling the solid state.
@en
prefLabel
Application of the PM6 method to modeling the solid state.
@ast
Application of the PM6 method to modeling the solid state.
@en
P2860
P1476
Application of the PM6 method to modeling the solid state.
@en
P2093
James J P Stewart
P2860
P2888
P304
P356
10.1007/S00894-008-0299-7
P577
2008-05-01T00:00:00Z