High Order Compact Multigrid Solver for Implicit Solvation Models
Author:
Affiliation:
1. Computational Materials Chemistry Group, Lehrstuhl für Anorganische Chemie 2, Ruhr-Universität Bochum, 44780 Bochum, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00774
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1. Ab Initio Molecular Dynamics
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5. Molecular Dynamics Investigation of the Dielectric Decrement of Ion Solutions
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1. The Poisson–Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients;The Journal of Chemical Physics;2019-12-14
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