Combining the Fluctuating Charge Method, Non-Periodic Boundary Conditions and Meta-Dynamics: Aqua Ions as case studies.
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Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating charges.Force Field Parametrization of Metal Ions from Statistical Learning Techniques.Conformational changes during permeation of Na+ through a modified cyclic peptide nanotube promote energy landscape roughness.Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies.
P2860
Combining the Fluctuating Charge Method, Non-Periodic Boundary Conditions and Meta-Dynamics: Aqua Ions as case studies.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
2014年论文
@zh
2014年论文
@zh-cn
name
Combining the Fluctuating Char ...... cs: Aqua Ions as case studies.
@en
type
label
Combining the Fluctuating Char ...... cs: Aqua Ions as case studies.
@en
prefLabel
Combining the Fluctuating Char ...... cs: Aqua Ions as case studies.
@en
P2860
P356
P1476
Combining the Fluctuating Char ...... cs: Aqua Ions as case studies.
@en
P2093
Giordano Mancini
Giuseppe Brancato
P2860
P304
P356
10.1021/CT400988E
P577
2014-03-01T00:00:00Z