About: Variable atomic radii for continuum-solvent electrostatics calculation

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scientific article published on July 2008

Attributes	Values
rdf:type	Item
description	videnskabelig artikel (da) article científic (ca) articolo scientifico (it) artigo científico (pt) bilimsel makale (tr) vedecký článok (sk) vetenskaplig artikel (sv) vědecký článek (cs) wetenschappelijk artikel (nl) wissenschaftlicher Artikel (de) научни чланак (sr) article scientifique (fr) artículu científicu espublizáu en 2008 (ast) наукова стаття, опублікована в липні 2008 (uk) مقالة علمية نشرت في يوليو 2008 (ar) scientific article published on July 2008 (en)
publication date	wds:Q37165296-FE499741-C1F8-4002-BB80-60FEED7AC4A5
publication date	2008-07-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q37165296-04DD56E3-A6CB-4EDF-A485-908C5D11CC84
language of work or name	English
cites work	wds:Q37165296-05B2F26C-FA43-4F8E-9B78-DC88F75641CA wds:Q37165296-0BE14474-E5AA-44D2-9A9A-CE1B0422DFCD wds:Q37165296-225A4F45-912D-4A31-B6F1-E4ABCCEF3D81 wds:Q37165296-3E4D3E59-7052-4FA3-B79F-44574770AB58 wds:Q37165296-428A1F4A-CE0B-4E7E-B119-4F200FE517D5 wds:Q37165296-43374073-4CA0-4743-9705-D9E04DD1DFFF wds:Q37165296-4C9BB6AB-543C-43AA-B964-05D611A9DA39 wds:Q37165296-5E5A58D9-B678-4DD9-BE7B-B9EDDFE3A5C4 wds:Q37165296-637C6583-3508-4D87-A5D4-7D3C412F853C wds:Q37165296-829DFA35-EEA4-40CB-8101-566634315047 wds:Q37165296-90C3AC24-71B4-45EB-94C1-A11FCAF664EA wds:Q37165296-9A74A50E-E9E6-4530-B651-1A8F08C1FC90 wds:Q37165296-AEB38963-584A-40C4-A589-FF0DBB0AD180 wds:Q37165296-B24E78C5-D8A7-4B6C-B3C6-DFAC980BD1E4 wds:Q37165296-DD1872F8-CD05-4A1A-9392-27C553C15565 wds:Q37165296-E83A3B1E-5E61-44FB-9784-4D6E33CF4E1B wds:Q37165296-FCCC7184-9E82-4D2E-BAD0-C70ED578374A
cites work	Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Density-functional thermochemistry. III. The role of exact exchange The interpretation of protein structures: Estimation of static accessibility Density-functional exchange-energy approximation with correct asymptotic behavior Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory Areas, volumes, packing and protein structure Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis Self-Consistent Equations Including Exchange and Correlation Effects Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis Efficient pseudopotentials for plane-wave calculations Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program Quantum mechanical continuum solvation models. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics The SIESTA method forab initioorder-Nmaterials simulation van der Waals Volumes and Radii Cavity size in reaction field theory Calculation of solvation free energy from quantum mechanical charge density and continuum dielectric theory
author name string	wds:Q37165296-11A154DD-D973-4650-ABD8-10759C80514E wds:Q37165296-894B7561-E24E-49C0-AF81-4ACB8EAC9647 wds:Q37165296-BB1FAE3D-A58D-446A-AD38-E534D61222D2
author name string	Manish Agarwal Chung F Wong Baojing Zhou
rdfs:label	Variable atomic radii for continuum-solvent electrostatics calculation (en) Variable atomic radii for continuum-solvent electrostatics calculation (nl) Variable atomic radii for continuum-solvent electrostatics calculation (ast)
skos:prefLabel	Variable atomic radii for continuum-solvent electrostatics calculation (en) Variable atomic radii for continuum-solvent electrostatics calculation (nl) Variable atomic radii for continuum-solvent electrostatics calculation (ast)
name	Variable atomic radii for continuum-solvent electrostatics calculation (en) Variable atomic radii for continuum-solvent electrostatics calculation (nl) Variable atomic radii for continuum-solvent electrostatics calculation (ast)
title	wds:Q37165296-62FF1E43-63D0-4AE6-A97C-D33F8DCF21D6
title	Variable atomic radii for continuum-solvent electrostatics calculation (en)
page(s)	wds:Q37165296-1DE5690E-4C76-4081-B757-D3084455A5D0
page(s)	014509
instance of	wds:Q37165296-4156EF4B-0EF6-462A-814D-E0D2DA8A7027
instance of	scholarly article
PubMed ID	wds:Q37165296-4265E320-6EC7-4DD5-9CE9-034374D051F1
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/18624485
PubMed ID	18624485
published in	wds:Q37165296-58B540AC-28BC-481A-BFFD-3907C4F6E8D2
published in	Journal of Chemical Physics
issue	wds:Q37165296-1872D671-DB8B-440F-AEBC-5942A82738D8
volume	wds:Q37165296-908E86B8-6BC9-400F-B78F-39E6C248A6F5
issue	1
volume	129
DOI	wds:Q37165296-2C0A67E0-1ED0-4FBE-A3AC-F773C240EA0F
DOI	http://dx.doi.org/10.1063/1.2949821
DOI	10.1063/1.2949821
ResearchGate publication ID	wds:Q37165296-1DCE66B3-712F-47C7-BF9F-115578E96331
ResearchGate publication ID	5226864
PMCID	wds:Q37165296-0727B60D-B3BF-4DD0-9015-5C8AFCA0C075
PMCID	2671660
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q37165296
is cites work of	Consistent van der Waals radii for the whole main group Toward robust computational electrochemical predicting the environmental fate of organic pollutants Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2. Atomic and Ionic Radii of Elements 1-96. Parameterization of an effective potential for protein-ligand binding from host-guest affinity data. Electrostatic solvation energy for two oppositely charged ions in a solvated protein system: salt bridges can stabilize proteins Calculating solvation energies by means of a fluctuating charge model combined with continuum solvent model.

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