First-Principles Study of the Structures and Vibrational Frequencies for Tetrathiafulvalene TTF and TTF-d4 in Different Oxidation States-Reference-Cited by-同舟云学术

First-Principles Study of the Structures and Vibrational Frequencies for Tetrathiafulvalene TTF and TTF-d4 in Different Oxidation States

Published:1999-02-18 Issue:10 Volume:103 Page:1407-1413
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Katan C.¹

Affiliation:

1. Groupe Matière Condensée et Matériaux, UMR-CNRS 6626, Université Rennes I, Campus de Beaulieu, F-35042 Rennes Cedex, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp983941v

Reference39 articles.

1. Toward understanding the vibrational spectra of BEDT-TTF, a scaled density functional force field approach

2. Electron-transfer boat-vibration mechanism for superconductivity in organic molecules based on BEDT-TTF

3. Williams, J. M.; Ferraro, J. F.; Thorn, R. J.; Carlson, K. D.; Geiser, U.; Wang, H. H.; Kini, A. M.; Whangbo, M.H.Organic Superconductors; Prentice Hall: New Jersey, 1992.

4. Tetrathiafulvalene: gas-phase molecular structure from electron diffraction

5. Projector augmented-wave method

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