Titlebook: New Horizons in Computational Chemistry Software; Michael Filatov,Cheol H. Choi,Massimo Olivucci Book 2022 The Editor(s) (if applicable) a

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Coupled- and Independent-Trajectory Approaches Based on the Exact Factorization Using the PyUNIxMD results for comparisons of coupled- and independenttrajectory approaches for the photoisomerization of a protonated Schiff base from excited state molecular dynamics (ESMD) simulations with the recently developed Python-based ESMD code, namely, the PyUNIxMD program.

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2367-4067 l chemistry software.Gives overview of emerging computationaThis volume presents the current status of software development in the field of computational and theoretical chemistry and gives an overview of the emerging trends. The challenges of maintaining the legacy codes and their adaptation to the

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