Numerical fitting of molecular properties to Hermite Gaussians.
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Gaussian Multipole Model (GMM)Atomic forces for geometry-dependent point multipole and gaussian multipole models.Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand-Macromolecule Complexes. A Bottom-Up Strategy.LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields.Simple Formulas for Improved Point-Charge Electrostatics in Classical Force Fields and Hybrid Quantum Mechanical/Molecular Mechanical Embedding.Classical electrostatics for biomolecular simulations.Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions.Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.Computational and experimental characterization of a pyrrolidinium-based ionic liquid for electrolyte applications.
P2860
Q33703995-A5883D8B-093A-4C0B-A9F7-937CFBA8D630Q34136054-AF6271E8-D676-429F-860E-96D8C1E58F0EQ34599612-DF35F098-CF73-44BD-AC61-04FB70843FA4Q36730729-C150D4DC-C612-43D8-82ED-59C45481B815Q36960570-B7DF32CD-3E8C-45D0-ACFF-0DC8C03C7048Q37259895-B59AFC39-B483-43EF-8DE5-49CD59517935Q37626128-65A4C6B0-7F33-431C-957B-98031310DAADQ37701693-38769BED-C5A6-4DDC-B7A9-B3D429D6B0E7Q38836142-550E9D89-90ED-4B49-B4B3-B79169C40C7CQ46739090-30B41EC4-865D-482D-BECA-37407CE67CB9
P2860
Numerical fitting of molecular properties to Hermite Gaussians.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Numerical fitting of molecular properties to Hermite Gaussians.
@ast
Numerical fitting of molecular properties to Hermite Gaussians.
@en
type
label
Numerical fitting of molecular properties to Hermite Gaussians.
@ast
Numerical fitting of molecular properties to Hermite Gaussians.
@en
prefLabel
Numerical fitting of molecular properties to Hermite Gaussians.
@ast
Numerical fitting of molecular properties to Hermite Gaussians.
@en
P2093
P2860
P356
P1476
Numerical fitting of molecular properties to Hermite Gaussians.
@en
P2093
Dennis Elking
Jean-Philip Piquemal
Thomas A Darden
P2860
P304
12049-12056
P356
10.1021/JP074817R
P407
P577
2007-11-01T00:00:00Z