Dohn, A O

Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex. [electronic resource] - Journal of chemical theory and computation Dec 2017 - 6010-6022 p. digital

Publication Type: Journal Article

1549-9626

10.1021/acs.jctc.7b00621 doi