Multiwfn forum

wambi50

Member

Registered: 2020-05-12

Posts: 2

Interfragment charge transfer method

Good evening Mr administrator. Please, I used the interfragment charge transfer method to demonstrate the charge transfer phenomenon for the D-pi-A systems. I can't find an article to support my thinking. Thank you, and have a good day.

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,770

Website

Re: Interfragment charge transfer method

If IFCT analysis in Multiwfn is employed in your work, currently please cite section 3.21.8 of Multiwfn manual. This year I will publish original paper of IFCT analysis, at that time please cite that paper.

It is noteworthy that currently my IFCT analysis have been employed in many papers by Multiwfn users, for example:
ChemistrySelect, 5, 3971 (2020)
Eur. J. Inorg. Chem., 2019, 4350
Bioconjugate Chem. DOI: 10.1021/acs.bioconjchem.0c00020
Org. Elect., 71, 212 (2020)
Solar Energy 201 (2020) 872–883
J. Mater. Chem. C, 2019,7, 2604-2614