About: QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex

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About: QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex Goto Sponge NotDistinct Permalink

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scientific article published on 01 February 2004

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована у 2003 (uk) im Februar 2004 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu en febreru de 2004 (ast) artikull shkencor i botuar më 01 shkurt 2004 (sq) scientific article published on 01 February 2004 (en)
publication date	wds:Q58738317-FDBDA128-357A-4D36-8D01-906D90FB9116
publication date	2004-02-01 00:00:00Z (xsd:dateTime)
cites work	wds:Q58738317-5DFD2791-349A-4572-B436-1628DFAFBBB0
cites work	Implementation of the IMOMM methodology for performing combined QM/MM molecular dynamics simulations and frequency calculations
rdfs:label	QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex (en) QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex (nl) QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex (sq)
skos:prefLabel	QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex (en) QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex (nl) QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex (sq)
name	QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex (en) QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex (nl) QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42?] complex (sq)
author	wds:Q58738317-47F66FDE-D3CD-45F1-A56D-863CFE66D219 wds:Q58738317-BC3023A8-3E1F-4D34-A55F-022A721C8168
author	Ivan Infante Lucas Visscher
title	wds:Q58738317-F132802E-A60C-4B55-B9BE-436B8CEAC6B8
title	QM/MM study of aqueous solvation of the uranyl fluoride [UO2F4(2-)] complex (en)
page(s)	wds:Q58738317-5CCBCFB4-FBE7-4335-ADE5-5558DB19E7C7
page(s)	386-392
instance of	wds:Q58738317-CFED22CC-0EB8-4495-A088-3BCA861E0D8B
instance of	scholarly article
main subject	wds:Q58738317-51B1B6B4-3C4B-47B9-8EC0-979C3F414BE6 wds:Q58738317-6C55C0DF-B096-413A-AA66-77211336D869
main subject	computational mathematics general chemistry
PubMed ID	wds:Q58738317-7CAF0245-C938-4EBC-A448-37FCFD0899FF
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/14696073
PubMed ID	14696073
DBLP publication ID	wds:Q58738317-1641EAAC-7B12-4E49-A767-3638037C85D4
DBLP publication ID	https://dblp.org/rec/journals/jcc/InfanteV04
DBLP publication ID	journals/jcc/InfanteV04
published in	wds:Q58738317-D8E605DE-7B25-4910-B541-7AD3F47A23FD
published in	Journal of Computational Chemistry
issue	wds:Q58738317-B520A3D2-F431-430A-AC6A-8BA4F245E0EB
volume	wds:Q58738317-7B583365-AE1D-4A3A-9431-35FB6863CB43
issue	3
volume	25
DOI	wds:Q58738317-A617935D-2FA8-4888-9D0E-90D502DD1E16
DOI	http://dx.doi.org/10.1002/JCC.10383
DOI	10.1002/JCC.10383
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58738317
is cites work of	Experimental and quantum chemical studies of structure and reaction mechanisms of dioxouranium(VI) complexes in solution Bonding trends across the series of tricarbonato-actinyl anions [(AnO2)(CO3)3]4- (An = U-Cm): the plutonium turn. Acidity of uranylVI hydrate studied with first-principles molecular dynamics simulations Quasielastic neutron scattering with in situ humidity control: Water dynamics in uranyl fluoride
is cites work of	wds:Q30975959-F4AE218B-E0E7-410E-A206-A302C02F135B wds:Q59101250-33B3FF2E-A480-4422-AFD5-60091D824FBD wds:Q46423852-693AB5E4-D74B-4343-877B-D2DB805F2A70 wds:Q79273963-A3E11153-00BD-4332-B6E8-DFB824BD69FB

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