Vibrational mode frequencies of H4SiO4, D4SiO4, H6Si2O7, and H6Si3O9 in aqueous environment, obtained from ab initio molecular dynamics-Reference-Cited by-同舟云学术

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Vibrational mode frequencies of H4SiO4, D4SiO4, H6Si2O7, and H6Si3O9 in aqueous environment, obtained from ab initio molecular dynamics

Published:2012-10-28 Issue:16 Volume:137 Page:164506
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Spiekermann Georg,Steele-MacInnis Matthew,Kowalski Piotr M.,Schmidt Christian,Jahn Sandro

Funder

Deutsche Forschungsgemeinschaft

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4761824

Reference68 articles.

1. Oligomerization in silica sols

2. Silica condensation reaction: an ab initio study

3. Thermochemistry of silicic acid deprotonation: comparison of gas-phase and solvated DFT calculations to experiment

4. Theoretical study on the dimerization of Si(OH)4 in aqueous solution and its dependence on temperature and dielectric constant

5. Thermodynamic modeling of solubility and speciation of silica in H2O-SiO2 fluid up to 1300C and 20 kbar based on the chain reaction formalism

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