PCMSolver: An open‐source library for solvation modeling

PCMSolver is an open‐source library for continuum electrostatic solvation. It can be combined with any quantum chemistry code and requires a minimal interface with the host program, greatly reducing programming effort. As input, PCMSolver needs only the molecular geometry to generate the cavity and...

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Bibliographic Details

Published in:	International journal of quantum chemistry Vol. 119; no. 1
Main Authors:	Di Remigio, Roberto, Steindal, Arnfinn Hykkerud, Mozgawa, Krzysztof, Weijo, Ville, Cao, Hui, Frediani, Luca
Format:	Journal Article
Language:	English
Published:	Hoboken Wiley Subscription Services, Inc 05.01.2019
Subjects:	Chemistry continuum solvation Libraries modular programming open‐source Organic chemistry Physical chemistry Quantum chemistry Quantum physics Solvation
ISSN:	0020-7608, 1097-461X
Online Access:	Get full text
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