Born−Oppenheimer ab Initio QM/MM Dynamics Simulations of Na+ and K+ in Water: From Structure Making to Structure Breaking Effects-Reference-Cited by-同舟云学术

Born−Oppenheimer ab Initio QM/MM Dynamics Simulations of Na+ and K+ in Water: From Structure Making to Structure Breaking Effects

Published:1998-11-21 Issue:50 Volume:102 Page:10340-10347
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Tongraar Anan¹,Liedl Klaus R.¹,Rode Bernd M.¹

Affiliation:

1. Department of Theoretical Chemistry, Institute for 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/jp982270y

Reference58 articles.

1. Lithium and Medicine: Inorganic Pharmacology

2. Molecular Dynamics Simulations of the Gramicidin Channel

3. A Molecular Dynamics Study of Aqueous Solutions. VII. Improved Simulation and Comparison with X-Ray Investigations of a NaCl Solution

4. Monte Carlo studies of the structure of NaCl aqueous solution at three different concentrations

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