Flexibility of TTF. A theoretical study

Synthetic Metals

Volumn 103, Issue 1-3, 1999, Pages 1991-1992

  Viruela, R ^a   Viruela, P M ^a   Pou Amerigo R ^a   Orti, E ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CONFORMATIONS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

CONFORMATIONAL FLEXIBILITY; QUANTUM CHEMICAL CALCULATIONS; TETRATHIAFULVALENE;

ORGANIC CONDUCTORS;

EID: 0033138225     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0379-6779(98)00217-3     Document Type: Article

References (9)

1. [1] E. Demilrap, S. Dasgupta, W.A. Goddard III, J. Am. Chem, Soc. 117 (1995) 8154; E, Demilrap, W.A. Goddard III, J.Phys. Chem. 101 (1997) 8128.
2. [1] E. Demilrap, S. Dasgupta, W.A. Goddard III, J. Am. Chem,Soc. 117 (1995) 8154; E, Demilrap, W.A. Goddard III, J. Phys. Chem. 101 (1997) 8128.
3. [2] W.J. Hehre, L. Radom, P.v.R. Schleyer, J.A. Pople, Ab Initio Molecular Orbital Theory, Wiley, New York, 1986.
4. [3] D.E. Woon, T.H. Dunning, Jr., J. Chem. Phys. 98 (1993) 1358; T.H. Dunning, Jr., J. Chem. Phys.90 (1989) 1007.
5. [3] D.E. Woon, T.H. Dunning, Jr., J. Chem. Phys. 98 (1993)1358; T.H. Dunning, Jr., J. Chem. Phys.90 (1989) 1007.
6. [4] W.F. Cooper, N.C. Kenny, J.W. Edmonds, A. Nagel, F. Wudl, Chem. Commun. (1971) 889.
7. [5] C. Katayama, M. Honda, H. Kumagai, J. Tanaka, G. Saito, H. Inokuchi, Bull. Chem. Soc. Jpn. 58 (1995) 2272.
8. [6] D.V. Konarev, Y.V. Zubavichus, Y.L. Slovokhotov, Y.M. Shul'ga, V.N. Semkin, N.V. Drichko, R.N. Lyubovskaya, Synth. Met. 92 (1998) 1.
9. [7] I. Hargittai, J. Brunwoll, M. Kolonits, V. Khodorkovsky, J. Mol. Struct. 317 (1994) 273.