Accurate Description of Aqueous Carbonate Ions: An Effective Polarization Model Verified by Neutron Scattering

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SYSNO ASEP	0379077
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Accurate Description of Aqueous Carbonate Ions: An Effective Polarization Model Verified by Neutron Scattering
Author(s)	Mason, Philip E. (UOCHB-X)_{RID, ORCID} Wernersson, Erik (UOCHB-X) Jungwirth, Pavel (UOCHB-X)_{RID, ORCID}
Number of authors	3
Source Title	Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106 Roč. 116, č. 28 (2012), s. 8145-8153
Number of pages	9 s.
Language	eng - English
Country	US - United States
Keywords	neutron scattering ; molecular dynamics ; carbonate
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GA203/08/0114 GA ČR - Czech Science Foundation (CSF)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000306503000017
DOI	https://doi.org/10.1021/jp3008267
Annotation	We compare thee difference of the neutron scattering structure factors of K2CO3 vs KNO3 solutions and that predicted by molecular dynamics simulations for various models of the same systems.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418
Year of Publishing	2013

Number of the records: 1