Carbon dioxide in aqueous environment-A quantum mechanical charge field molecular dynamics study-Reference-Cited by-同舟云学术

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Carbon dioxide in aqueous environment-A quantum mechanical charge field molecular dynamics study

Published:2011-03-28 Issue:7-8 Volume:111 Page:1370-1378
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Moin Syed Tarique,Pribil Andreas B.,Lim Len Herald V.,Hofer Thomas S.,Randolf Bernhard R.,Rode Bernd M.

Funder

Austrian Science Foundation

Austrian Technology Grant (BMWF/RFTE).

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.22640/fullpdf

Reference62 articles.

1. Wet chemistry

2. Beryllium(II): The Strongest Structure-Forming Ion in Water? A QMCF MD Simulation Study

3. The Hydration Structure of Sn(II): An ab initio Quantum Mechanical Charge Field Molecular Dynamics Study

4. Structure and Dynamics of the U4+ Ion in Aqueous Solution: An ab Initio Quantum Mechanical Charge Field Molecular Dynamics Study

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1. The solvation dynamics of CO2 by quantum mechanical molecular dynamics;Chemical Physics Letters;2023-12

2. The solvation structure of CO2 in dichloromethane – A comparative correlated, semi-empirical and classical MD simulation study;Journal of Molecular Liquids;2022-10

3. Vibrational relaxation of carbon dioxide in water;The Journal of Chemical Physics;2022-03-07

4. Space-Resolved OH Vibrational Spectra of the Hydration Shell around CO2;The Journal of Physical Chemistry B;2021-12-20

5. Structure, Dynamics, and Hydration Free Energy of Carbon Dioxide in Aqueous Solution: A Quantum Mechanical/Molecular Mechanics Molecular Dynamics Thermodynamic Integration (QM/MM MD TI) Simulation Study;Journal of Chemical Theory and Computation;2018-10-18

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