Ab initio molecular dynamics simulation of infrared absorption spectra of crystalline sulfuric acid mono- and tetra-hydrates-Reference-Cited by-同舟云学术

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Ab initio molecular dynamics simulation of infrared absorption spectra of crystalline sulfuric acid mono- and tetra-hydrates

Published:2016-08 Issue: Volume:1089 Page:54-58
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Yamaguchi Makoto^ORCID,Ohira Akihiro

Funder

Ministry of Economy, Trade and Industry

New Energy and Industrial Technology Development Organization

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference29 articles.

1. Self-dissociation and protonic charge transport in water and ice;Eigen;Proc. Roy. Soc. Lond.,1958

2. Hydrogen bonds with large proton polarizability and proton transfer processes in electrochemistry and biology;Zundel;Adv. Chem. Phys.,2000

3. Gas phase infrared spectra of oxonium hydrate ions from 2 to 5μ;Schwarz;J. Chem. Phys.,1977

4. Infrared spectra of the solvated hydronium ion: vibrational predissociation spectroscopy of mass-selected H3O+·(H2O)n·(H2)m;Okumura;J. Phys. Chem.,1990

5. Spectral signatures of hydrated proton vibrations in water clusters;Headrick;Science,2005

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2. Unique Hydration/Dehydration-Induced Vapochromic Behavior of a Charge-Transfer Salt Comprising Viologen and Hexacyanidoferrate(II);Inorganic Chemistry;2018-02-07

3. Predicting the structures and associated phase transition mechanisms in disordered crystals via a combination of experimental and theoretical methods;Faraday Discussions;2018

4. Ab Initio Molecular Dynamics Simulation of Infrared Absorption Spectra of H3O+ and H5O+2 in Nonaqueous Solutions of Trifluoromethanesulfonic Acid Hydrates;Journal of Solution Chemistry;2016-08-18

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