Preferential Solvation of Li+ in 18.45 Aqueous Ammonia: A Born−Oppenheimer ab Initio Quantum Mechanics/Molecular Mechanics MD Simulation-Reference-Cited by-同舟云学术

Preferential Solvation of Li+ in 18.45 Aqueous Ammonia: A Born−Oppenheimer ab Initio Quantum Mechanics/Molecular Mechanics MD Simulation

Published:1999-10-01 Issue:42 Volume:103 Page:8524-8527
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Tongraar Anan¹,Rode Bernd M.¹

Affiliation:

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

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp991580t

Reference16 articles.

1. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

2. Coupled semiempirical molecular orbital and molecular mechanics model (QM/MM) for organic molecules in aqueous solution

3. A Priori Evaluation of Aqueous Polarization Effects through Monte Carlo QM-MM Simulations

4. A QM/MM simulation method applied to the solution of Li+ in liquid ammonia

5. Solvation of Ca2+ in Water Studied by Born−Oppenheimer ab Initio QM/MM Dynamics

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