Spectroscopy in Complex Environments from QM-MM Simulations.
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DOI: 10.1021/acs.chemrev.8b00026
Abstract: The applications of multiscale quantum-classical (QM-MM) approaches have shown an extraordinary expansion and diversification in the last couple of decades. A great proportion of these efforts have been devoted to interpreting and reproducing spectroscopic experiments… read more here.
Keywords: environments simulations; spectroscopy complex; complex environments; spectroscopy ... See more keywords