TD-DFT benchmark for UV-visible spectra of fused-ring electron acceptors using global and range-separated hybrids-Reference-Cited by-同舟云学术

TD-DFT benchmark for UV-visible spectra of fused-ring electron acceptors using global and range-separated hybrids

Published:2020 Issue:15 Volume:22 Page:7864-7874
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ali Amjad¹²³⁴,Rafiq Muhammad Imran¹²³⁴,Zhang Zhuohan¹²³⁴,Cao Jinru¹²³⁴,Geng Renyong¹²³⁴,Zhou Baojing¹²³⁴,Tang Weihua¹²³⁴^ORCID

Affiliation:

1. School of Chemical Engineering

2. Nanjing University of Science and Technology

3. Nanjing 210094

4. People's Republic of China

Abstract

The accuracy of Time-Dependent Density Functional Theory in predicting the vertical absorption wavelength of 50 widely-used fused-ring electron acceptors (FREAs) has been investigated by considering the solvent effects.

Funder

National Natural Science Foundation of China

Nanjing University of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP00060D

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