Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
FROG : exploiting all-atom Molecular Dynamics trajectories to calculate linear and non-linear optical responses of molecular liquids within Dalton’s QM/MM polarizable embedding scheme
, Authors:
Le Breton Guillaume, Bonhomme Oriane, Benichou Emmanuel, Claire Loison
Version 1 posted 29 March 2024
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