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2Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics
V. Macaluso, S. Hashem, M. Nottoli, F. Lipparini, L. Cupellini, and B. Mennucci. The Journal of Physical Chemistry B, 125 (36): 10282--10292 (September 2021)
3 years ago by @mnottoli
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2Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation
M. Nottoli, R. Nifosì, B. Mennucci, and F. Lipparini. Journal of Chemical Theory and Computation, 17 (9): 5661--5672 (September 2021)
3 years ago by @mnottoli
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chemistrymultiscalemyownpcmqmmmtheoretical
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