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#1 2020-05-12 13:34:50

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.

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#2 2020-05-12 13:53:18

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,611
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

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