Pressure-dependent electronic structure calculations using integral equation-based solvation models.

Pongratz, Tim

Pressure-dependent electronic structure calculations using integral equation-based solvation models. [electronic resource] - Biophysical chemistry 02 2020 - 106258 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1873-4200

10.1016/j.bpc.2019.106258 doi


Magnetic Resonance Spectroscopy
Methylamines--chemical synthesis
Models, Chemical
Molecular Dynamics Simulation
Pressure
Quantum Theory