about
Quantum mechanical force field for hydrogen fluoride with explicit electronic polarizationExplicit polarization: a quantum mechanical framework for developing next generation force fields.A numerically stable restrained electrostatic potential charge fitting method.Multilevel X-Pol: a fragment-based method with mixed quantum mechanical representations of different fragments.Fragment-based quantum mechanical methods for periodic systems with Ewald summation and mean image charge convention for long-range electrostatic interactions.Quantum mechanical force field for water with explicit electronic polarization.An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches.Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.Accuracy and tractability of a kriging model of intramolecular polarizable multipolar electrostatics and its application to histidine.
P2860
Q33655509-594CDCC3-5440-4835-9B7D-DACAEFF9CDCFQ34193920-5937951D-820A-482F-9B6E-47D65718CF9AQ34529293-65250C76-F75C-4D0E-B66A-456E60C113B3Q36035279-3BF22093-8FD3-4D48-A4F2-8D9F693356F0Q36455237-B1CA66FA-6A5A-4631-B487-296FB01C45D8Q37106162-041EFE39-2CFD-497A-B5AC-CDF714E7C401Q37650589-3A60CEC0-9EA7-41E4-B4AE-28D0C1C7B639Q38583485-C1342F23-092E-449E-B3D7-0CB58A5F03A2Q44772587-53281382-472A-4A5C-8C97-8AD0002F270A
P2860
description
2011 nî lūn-bûn
@nan
2011 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Dipole preserving and polarization consistent charges.
@ast
Dipole preserving and polarization consistent charges.
@en
type
label
Dipole preserving and polarization consistent charges.
@ast
Dipole preserving and polarization consistent charges.
@en
prefLabel
Dipole preserving and polarization consistent charges.
@ast
Dipole preserving and polarization consistent charges.
@en
P2093
P2860
P356
P1476
Dipole preserving and polarization consistent charges.
@en
P2093
P2860
P304
P356
10.1002/JCC.21795
P577
2011-05-03T00:00:00Z