The General Tools include programs and scripts to create input files, extract, analyse and visualise data from output files. They can be generally used as stand-alone programs.

PolChat - A polarisation-consistent charge-fitting tool

What is PolChat
PolChat is an ESP charge-fitting tool accounting for molecular polarisation through the induced-dipole model.

Theory, implementation and usage: PolChat v.4.1.2

Obtaining PolChat
The tool is available upon request: please send an email to Questo indirizzo email è protetto dagli spambots. È necessario abilitare JavaScript per vederlo.

How to cite PolChat
Please cite it as:
PolChat: A polarisation-consistent charge fitting tool.
S. Caprasecca, C. Curutchet & B. Mennucci. ver.4.1.2
Molecolab Tools. 2014-2018

Dipartimento di Chimica e Chimica Industriale
Via Giuseppe Moruzzi, 13
56124 - Pisa, Italy

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