Structure and vibrational dynamics of hydrogen bond in hydrogenbissulfate anion in the gas phase and in the solid state: A computational study-Reference-Cited by-同舟云学术

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Structure and vibrational dynamics of hydrogen bond in hydrogenbissulfate anion in the gas phase and in the solid state: A computational study

Published:2007-11 Issue: Volume:844-845 Page:215-221
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Demšar Katarina,Stare Jernej,Mavri Janez

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference37 articles.

1. Proton Conductors. Solids, Membranes and Gels – Materials and Devices;Colomban,1992

2. Collective behavior of hydrogen bonds in ferroelectrics and proton glasses;Blinc,1997

3. Crystal Design: Structure and Function;Desiraju,2003

4. Computer Modelling of Chemical Reactions in Enzymes and Solutions;Warshel,1991

5. Computer simulation of the initial proton transfer step in human carbonic anhydrase I

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1. Program package for numerical solving time-independent Schrödinger equation for vibrational problems: Inclusion of coordinate dependent reduced masses;Vibrational Spectroscopy;2012-01

2. Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: Car–Parrinello Molecular Dynamics and Vibrational Spectroscopy Study;The Journal of Physical Chemistry B;2011-04-25

3. Car–Parrinello simulation of hydrogen bond dynamics in sodium hydrogen bissulfate;The Journal of Chemical Physics;2010-06-14

4. First principles investigation of hydrogen isotope effects in [XSO4–H–SO4X]−(X = H, K) complexes;Molecular Physics;2010-06-10

5. Variable Temperature Neutron Diffraction and X-Ray Charge Density Studies of Tetraacetylethane;The Journal of Physical Chemistry A;2008-07-01

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