A Combined QM/MM Molecular Dynamics Simulations Study of Nitrate Anion (NO3-) in Aqueous Solution-Reference-Cited by-同舟云学术

A Combined QM/MM Molecular Dynamics Simulations Study of Nitrate Anion (NO3-) in Aqueous Solution

Published:2006-10-31 Issue:47 Volume:110 Page:12918-12926
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Tongraar Anan¹,Tangkawanwanit Piyawan¹,Rode Bernd Michael¹

Affiliation:

1. School of Chemistry, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand, and Department of Theoretical Chemistry, Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 52a, A-6020 Innsbruck, Austria

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp064779w

Reference49 articles.

1. Structure and dynamics of hydrated ions

2. Molecular Dynamics Simulations of Aqueous Ionic Solutions

3. Structure and dynamics of hydrated ions—new insights through quantum mechanical simulations

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