The deMon2k Home Page

Topic: QM/MM

QM/MM

Simulating Electron Dynamics in Polarizable Environments
X. Wu, J.-M. Teuler, F. Cailliez, C. Clavaguéra, D.R. Salahub, A. de la Lande
J. Chem. Theory Comput. 13, 3985-4002 (2017)

Last Update: 2nd May 2018