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Computational spectroscopy in solution by integration of variational and perturbative approaches on top of clusterized molecular dynamics
Mancini, Giordano, Del Galdo, Sara, Chandramouli, Balasubramanian, Pagliai, Marco, Barone, VincenzoJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00454
Date:
July, 2020
File:
PDF, 5.31 MB
2020