Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation
Author:
Affiliation:
1. Dipartimento di Chimica e Chimica Industriale, University of Pisa, Via Risorgimento 35, 56126 Pisa, Italy
2. Departament de Fisicoquímica Facultat de Farmàcia, Universitat de Barcelona Av. Joan XXIII s/n, 08028 Barcelona, Spain
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct500021d
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