MNDO CALCULATIONS ON TETRATHIAFULVALENES

被引:11
作者
BOWADT, S
JENSEN, F
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D O I
10.1016/0379-6779(89)90840-0
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T [工业技术];
学科分类号
08 ;
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页码:179 / 190
页数:12
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[1]   AN ALGORITHM FOR THE LOCATION OF TRANSITION-STATES [J].
BAKER, J .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (04) :385-395
[2]   THEORETICAL-STUDIES ON POLYANILINE [J].
BOUDREAUX, DS ;
CHANCE, RR ;
WOLF, JF ;
SHACKLETTE, LW ;
BREDAS, JL ;
THEMANS, B ;
ANDRE, JM ;
SILBEY, R .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (08) :4584-4590
[3]  
CHEN W, 1988, J AM CHEM SOC, V109, P7903
[4]   SUPERCONDUCTING FLUCTUATIONS AND PEIERLS INSTABILITY IN AN ORGANIC SOLID [J].
COLEMAN, LB ;
COHEN, MJ ;
SANDMAN, DJ ;
YAMAGISH.FG ;
GARITO, AF ;
HEEGER, AJ .
SOLID STATE COMMUNICATIONS, 1973, 12 (11) :1125-1132
[5]   CRYSTAL AND MOLECULAR STRUCTURE OF AROMATIC SULPHUR COMPOUND 2,2'-BI-1,3-DITHIOLE - EVIDENCE FOR D-ORBITAL PARTICIPATION IN BONDING [J].
COOPER, WF ;
KENNY, NC ;
EDMONDS, JW ;
NAGEL, A ;
WUDL, F ;
COPPENS, P .
JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1971, (16) :889-&
[6]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[7]   ELECTRON-TRANSFER IN A NEW HIGHLY CONDUCTING DONOR-ACCEPTOR COMPLEX [J].
FERRARIS, J ;
WALATKA, V ;
PERLSTEI.JH ;
COWAN, DO .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (03) :948-949
[8]   QUANTUM CHEMICAL STUDIES IN DESIGN OF ORGANIC METALS .2. EQUILIBRIUM GEOMETRIES AND ELECTRONIC-STRUCTURE OF TETRATHIOFULVALENE (TTF) AND TETRACYANOQUINODIMETHANE (TCNQ) AND THEIR UNI-VALENT AND DI-VALENT IONS [J].
HADDON, RC .
AUSTRALIAN JOURNAL OF CHEMISTRY, 1975, 28 (11) :2333-2342
[9]  
HILBERT DB, 1987, MAGN RESONANCE CHEM, V25, P648
[10]   SUPERCONDUCTIVITY IN A SYNTHETIC ORGANIC CONDUCTOR (TMTSF)2PF6 [J].
JEROME, D ;
MAZAUD, A ;
RIBAULT, M ;
BECHGAARD, K .
JOURNAL DE PHYSIQUE LETTRES, 1980, 41 (04) :L95-L98