Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene−Tetracyanoquinodimethane (TTF−TCNQ) as a Model Case-Reference-Cited by-同舟云学术

Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene−Tetracyanoquinodimethane (TTF−TCNQ) as a Model Case

Published:2011-01-18 Issue:3 Volume:7 Page:602-609
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sini Gjergji¹,Sears John S.¹,Brédas Jean-Luc¹

Affiliation:

1. School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct1005517

Reference65 articles.

1. Molecular Compounds and their Spectra. III. The Interaction of Electron Donors and Acceptors

2. The interaction of electron donors and acceptors

3. Donor-Acceptor Complexes

4. Molecular Complexes and Their Spectra. VII. The Spectrophotometric Study of Molecular Complexes in Solution; Contact Charge-transfer Spectra1

5. Organic photovoltaics

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