AB-INITIO CALCULATION OF ELECTRONIC-STRUCTURE OF TCNQ AND ITS IONS

[1] Almlof J., 1973, Journal of Electron Spectroscopy and Related Phenomena, V2, P51, DOI 10.1016/0368-2048(73)80048-9

[2] ALMLOF J, 1973, 2ND P SEM COMP PROBL, P14

[3] BAGUS PS, 1972, DOCUMENTATION ALCHEM

[4] CLEMENTI E, 1971, IBMOL5 PROGRAM QUANT

[5] SUPERCONDUCTING FLUCTUATIONS AND PEIERLS INSTABILITY IN AN ORGANIC SOLID [J]. SOLID STATE COMMUNICATIONS, 1973, 12 (11) : 1125 - 1132

[6] IONIZATION POTENTIALS OF FERROCENE AND KOOPMANS THEOREM - AB-INITIO LCAO-MO-SCF CALCULATION [J]. THEORETICA CHIMICA ACTA, 1972, 27 (04): : 281 - &

[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

[8] METAL-INSULATOR TRANSITION AND ANTIFERROMAGNETISM IN A ONE-DIMENSIONAL ORGANIC SOLID [J]. PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (03): : 952 - +

[9] ELECTRON SPIN RESONANCE SPECTRUM OF ELECTROLYTICALLY GENERATED 7,7,8,8-TETRACYANOQUINODIMETHANE RADICAL ANIONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (18) : 2694 - &

[10] GIRLANDO A, 1974, CHEM PHYS LETT, V25, P409, DOI 10.1016/0009-2614(74)85332-7

[1] Almlof J., 1973, Journal of Electron Spectroscopy and Related Phenomena, V2, P51, DOI 10.1016/0368-2048(73)80048-9

[2] ALMLOF J, 1973, 2ND P SEM COMP PROBL, P14

[3] BAGUS PS, 1972, DOCUMENTATION ALCHEM

[4] CLEMENTI E, 1971, IBMOL5 PROGRAM QUANT

[5] SUPERCONDUCTING FLUCTUATIONS AND PEIERLS INSTABILITY IN AN ORGANIC SOLID [J]. SOLID STATE COMMUNICATIONS, 1973, 12 (11) : 1125 - 1132

[6] IONIZATION POTENTIALS OF FERROCENE AND KOOPMANS THEOREM - AB-INITIO LCAO-MO-SCF CALCULATION [J]. THEORETICA CHIMICA ACTA, 1972, 27 (04): : 281 - &

[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

[8] METAL-INSULATOR TRANSITION AND ANTIFERROMAGNETISM IN A ONE-DIMENSIONAL ORGANIC SOLID [J]. PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (03): : 952 - +

[9] ELECTRON SPIN RESONANCE SPECTRUM OF ELECTROLYTICALLY GENERATED 7,7,8,8-TETRACYANOQUINODIMETHANE RADICAL ANIONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (18) : 2694 - &

[10] GIRLANDO A, 1974, CHEM PHYS LETT, V25, P409, DOI 10.1016/0009-2614(74)85332-7