Why are the Interaction Energies of Charge-Transfer Complexes Challenging for DFT?-Reference-Cited by-同舟云学术

Why are the Interaction Energies of Charge-Transfer Complexes Challenging for DFT?

Published:2012-04-06 Issue:5 Volume:8 Page:1629-1640
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Steinmann Stephan N.¹,Piemontesi Cyril¹,Delachat Aurore¹,Corminboeuf Clemence¹

Affiliation:

1. Laboratory for Computational Molecular Design, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200930x

Reference95 articles.

1. Molecular Compounds and their Spectra. II

2. Complexes de transfert de charge evolutifs, C.T.C.E., du type brome - olefine. I. Effet de structure du donneur

3. Conjugated Polymer-Based Organic Solar Cells

4. Highly Efficient Organic Devices Based on Electrically Doped Transport Layers

5. Some new ideas in the theory of intermolecular forces: anisotropic atom-atom potentials

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