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Accurate Description of Aqueous Carbonate Ions: An Effective Polarization Model Verified by Neutron Scattering
- 1.0379077 - ÚOCHB 2013 RIV US eng J - Journal Article
Mason, Philip E. - Wernersson, Erik - Jungwirth, Pavel
Accurate Description of Aqueous Carbonate Ions: An Effective Polarization Model Verified by Neutron Scattering.
Journal of Physical Chemistry B. Roč. 116, č. 28 (2012), s. 8145-8153. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : neutron scattering * molecular dynamics * carbonate
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.607, year: 2012
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.
Permanent Link: http://hdl.handle.net/11104/0007100
Number of the records: 1