A modern solvation theory: quantum chemistry and statistical chemistry.

A modern solvation theory: quantum chemistry and statistical chemistry.

Item
http://www.wikidata.org/entity/Q51227001
Effects of Bridge Functions on Radial Distribution Functions of Liquid Water.Assessing the accuracy of integral equation theories for nano-sized hydrophobic solutes in water.The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane-water log D.Design principles for high-pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures.Extraction of site-site bridge functions and effective pair potentials from simulations of polar molecular liquids.Study on the interaction of paeoniflorin with human serum albumin (HSA) by spectroscopic and molecular docking techniques.Communication: Constructing an implicit quantum mechanical/molecular mechanics solvent model by coarse-graining explicit solvent.Dynamics theory for molecular liquids based on an interaction site model.Photo absorption of p-coumaric acid in aqueous solution: RISM-SCF-SEDD theory approach.A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: multi-center molecular Ornstein-Zernike self-consistent field approach.Effects of bridge functions on radial distribution functions of liquid water.Efficient implementation of the three-dimensional reference interaction site model method in the fragment molecular orbital method.Toward Extreme Biophysics: Deciphering the Infrared Response of Biomolecular Solutions at High Pressures.
P2860

A modern solvation theory: quantum chemistry and statistical chemistry.

Item
http://www.wikidata.org/entity/Q51227001
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
@zh-cn
2013年学术文章
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2013年学术文章
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2013年学术文章
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2013年學術文章
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name
A modern solvation theory: quantum chemistry and statistical chemistry.
@en
A modern solvation theory: quantum chemistry and statistical chemistry.
@nl
type
label
A modern solvation theory: quantum chemistry and statistical chemistry.
@en
A modern solvation theory: quantum chemistry and statistical chemistry.
@nl
prefLabel
A modern solvation theory: quantum chemistry and statistical chemistry.
@en
A modern solvation theory: quantum chemistry and statistical chemistry.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
P921
P356
P1433
P1476
A modern solvation theory: quantum chemistry and statistical chemistry.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
P921