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QM–MM Ehrenfest dynamics from first principles: photodissociation of diazirine in aqueous solution
Ramírez, Francisco, Díaz Mirón, Gonzalo, González Lebrero, Mariano C., Scherlis, Damian A.Volume:
137
Language:
english
Journal:
Theoretical Chemistry Accounts
DOI:
10.1007/s00214-018-2305-1
Date:
September, 2018
File:
PDF, 1.81 MB
english, 2018