CHELPGCharges from Electrostatic Potential, Grid Method
References in periodicals archive ?
Hydrogen bonds in alcohols water complexes: A theoretical study about new intramolecular interactions via CHELPG and AIM calculations, Journal of Molecular Structure: THEOCHEM 774, 83-88 (2006).
Binding energies were calculated to demonstrate the strength of interaction, and charges carried by electron acceptors/donors were obtained with the CHELPG scheme.