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Nonadiabatic Forward Flux Sampling for Excited-State Rare Events.
J Chem Theory Comput. 2023 Mar 28;19(6):1657-1671. doi: 10.1021/acs.jctc.2c01088. Epub 2023 Mar 1.
J Chem Theory Comput. 2023.
PMID: 36856706
Free PMC article.
LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in Solution.
Polonius S, Zhuravel O, Bachmair B, Mai S.
Polonius S, et al. Among authors: bachmair b.
J Chem Theory Comput. 2023 Oct 24;19(20):7171-7186. doi: 10.1021/acs.jctc.3c00805. Epub 2023 Oct 3.
J Chem Theory Comput. 2023.
PMID: 37788824
Free PMC article.
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