Result: InfiniCharges: A tool for generating partial charges via the simultaneous fit of multiframe electrostatic potential (ESP) and total dipole fluctuations (TDF)

Title:
InfiniCharges: A tool for generating partial charges via the simultaneous fit of multiframe electrostatic potential (ESP) and total dipole fluctuations (TDF)
Authors:
Sant, Marco, Gabrieli, Andrea ⁎, Demontis, Pierfranco, Suffritti, Giuseppe B.
Source:
In Computer Physics Communications March 2016 200:190-198
Database:
ScienceDirect