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1 article related to "Plane Wave Density Functional Theory"

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Articles

Original Research

Published on 10 Jul 2018

Interfacing the Core-Shell or the Drude Polarizable Force Field With Car–Parrinello Molecular Dynamics for QM/MM Simulations

in Theoretical and Computational Chemistry

Sudhir K. Sahoo
Nisanth N. Nair

Frontiers in Chemistry

doi 10.3389/fchem.2018.00275

5,544 views
19 citations