What Is the Solvation Number of Na+ in Ammonia? An Ab Initio QM/MM Molecular Dynamics Study
Author:
Affiliation:
1. Department of Physics, Faculty of Science, Mahidol University, Bangkok 10400, Thailand
2. Department of Theoretical Chemistry, Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, A-6020, Innsbruck, Austria
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp994390r
Reference40 articles.
1. Phase Transition for a Hard Sphere System
2. Equation of State Calculations by Fast Computing Machines
3. CI study of the water dimer potential surface
4. Ionic radii in aqueous solutions
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