Structures and energetics study of tetrathiafulvalene-based donors of organic superconductors

Journal of Physical Chemistry A

Volumn 101, Issue 43, 1997, Pages 8128-8131

  Demiralp, Ersan ^a   Goddard III, William A ^a  

^a California Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHARGE TRANSFER; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; ELECTRONS; MODIFICATION; MOLECULES; ORGANIC COMPOUNDS; ORGANIC CONDUCTORS; PHONONS; QUANTUM THEORY; SUPERCONDUCTIVITY;

ORGANIC SUPERCONDUCTOR; TETRATHIAFULVALENE;

SUPERCONDUCTING MATERIALS;

EID: 0031251167     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9716546     Document Type: Article

References (15)

1. Mori, H. Int. J. Mod. Phys. B 1994, 8, 1.
2. Inokuchi, H. Int. Rev. Phys. Chem. 1989, 8, 95.
3. Bryce, M. R. Chem. Soc. Rev. 1991, 20 , 355.
4. Demiralp, E.; Goddard, W. A., III. Synth. Met, 1995, 72, 297.
5. Demiralp, E.; Dasgupta, S.; Goddard, W. A., III. J. Am. Chem. Soc. 1995, 117, 8154.
6. 14
7. Cowan, D. O.; Fortkort, J. A.; Metzger, R. M. Lower-Dimensional Systems and Molecular Electronics; Plenum Press: New York, 1991.
8. Kobayashi, H.; Kobayashi, A.; Yukiyoshi, S.; Saito, G.; Inkuchi, H. Bull. Chem. Soc. Jpn. 1986, 59, 301.
9. Harmony, M. D.; Laurie, V. W.; Kuczkowski, R. L.; Schwendeman, R. H.; Ramsay, D. A.; Lovas, F. J.; Lafferty, W. J.; Maki, A. G. J. Phys. Chem. Ref. Data 1979, 8, 619.
10. Goddard, W. A., III.; Harding, L. B. Annu. Rev. Phys. Chem. 1978, 29, 363.
11. Lichtenberger, D. L.; Johnston, R. L.; Hinkelmann, K.; Suzuki, T.; Wudl, F. J. Am. Chem. Soc. 1990, 112, 3302.
12. Sato, N.; Saito, G.; Inokuchi, H. Chem. Phys. 1983, 76, 79.
13. Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 92, Revision B; Gaussian, Inc.: Pittsburgh, PA, 1992.
14. (a) Ringnalda, M. N.; Langlois, J.; Murphy, R. B.; Greeley, B. H.; Cortis, C.; Russo, T. V.; Marten, B.; Donnely, R. E.; Pollard, W. T.; Cao, Y.; Muller, R. P.; Mainz, D. T.; Wright, J. R.; Miller, G. H.; Goddard, W. A. III; Friesner, R. A. PS-GVB 2.3; Schrödinger, Inc.: Portland, OR, 1996.
15. (b) Greeley, B. H.; Russo, T. V.; Mainz, D. T.; Friesner, R. A.; Langlois, J.-M.; Goddard, W. A., III; Donnelly, R. E.; Ringnalda, M. N. J. Chem. Phys. 1994, 101, 4028.