Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework
Author:
Affiliation:
1. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway
2. Algorithmiq Ltd, Kanavakatu 3C, FI-00160 Helsinki, Finland
Funder
Norges Forskningsr?d
Troms? Forskningsstiftelse
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01098
Reference78 articles.
1. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
2. Quantum Mechanical Continuum Solvation Models
3. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
4. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
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