Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Analytic gradients for the electrostatic embedding QM/MM in periodic boundary conditions using particle-mesh Ewald sums and electrostatic potential fitted charge operators
, Authors:
Simone Bonfrate, Nicolas Ferré, Miquel Huix-Rotllant
Version 1 posted 20 February 2024
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