Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost

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Authors: M. Rosa, M. Micciarelli, A. Laio, S. Baroni

Journal title: Journal of Chemical Theory and Computation

Journal number: 12

Journal publisher: American Chemical Society

Published year: 2016

Published pages: 4385-4389

DOI identifier: 10.1021/acs.jctc.6b00470

ISSN: 1549-9618