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Accounts of Chemical Research | Vol 54, No 22
https://pubs.acs.org/toc/achre4/54/22Accounts of Chemical Research 2021, 54, 22, 4131-4141 (Article) Publication Date (Web): November 2, 2021. Abstract. Full text. PDF. ABSTRACT. Conspectus. Direct dynamics simulations of chemical reactions typically require the selection of a method for generating the potential energy surfaces and a method for the dynamical propagation of the ...