Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library
Author:
Affiliation:
1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, 56124Pisa, Italy
2. Department of Mathematics, RWTH Aachen University, Schinkelstr. 2, 52062Aachen, Germany
Funder
Gaussian
Deutsche Forschungsgemeinschaft
Ministero dell'Universit? e della Ricerca
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c04579
Reference65 articles.
1. Perspective: Polarizable continuum models for quantum-mechanical descriptions
2. Polarizable continuum model
3. The COSMO and COSMO‐RS solvation models
4. Quantum Mechanical Continuum Solvation Models
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