Multilevel X-Pol: a fragment-based method with mixed quantum mechanical representations of different fragments.
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MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-QuadruplexExplicit polarization: a quantum mechanical framework for developing next generation force fields.Recent advances toward a general purpose linear-scaling quantum force fieldMultipolar Ewald methods, 1: theory, accuracy, and performanceA variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields.Quantum mechanical force field for water with explicit electronic polarization.Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions.A theoretical view of protein dynamics.Quantum mechanical force fields for condensed phase molecular simulations.The critical effect of polarization on the dynamical structure of guanine quadruplex DNA.Perturbation Approach for Computing Infrared Spectra of the Local Mode of Probe Molecules.A GPU-Accelerated Parameter Interpolation Thermodynamic Integration Free Energy Method.
P2860
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P2860
Multilevel X-Pol: a fragment-based method with mixed quantum mechanical representations of different fragments.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
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2012年论文
@zh-cn
name
Multilevel X-Pol: a fragment-b ...... ations of different fragments.
@ast
Multilevel X-Pol: a fragment-b ...... ations of different fragments.
@en
type
label
Multilevel X-Pol: a fragment-b ...... ations of different fragments.
@ast
Multilevel X-Pol: a fragment-b ...... ations of different fragments.
@en
prefLabel
Multilevel X-Pol: a fragment-b ...... ations of different fragments.
@ast
Multilevel X-Pol: a fragment-b ...... ations of different fragments.
@en
P2093
P2860
P356
P1476
Multilevel X-Pol: a fragment-b ...... ations of different fragments.
@en
P2093
Alessandro Cembran
Carlos P Sosa
Yingjie Wang
P2860
P304
P356
10.1021/JP212399G
P407
P577
2012-03-19T00:00:00Z