ENERGY CALCULATIONS WITH EXTENDED-HUCKEL METHOD

[1] VALENCE ORBITAL IONIZATION POTENTIALS FROM ATOMIC SPECTRAL DATA [J]. THEORETICA CHIMICA ACTA, 1965, 3 (05): : 458 - &

[2] BASIS OF EXTENDED HUCKEL FORMALISM [J]. THEORETICA CHIMICA ACTA, 1968, 10 (04): : 316 - +

[3] NEAR-MINIMUM BASIS SET SCF CALCULATIONS ON HC1 AS A SOURCE OF TRANSFERABLE PARAMETERS [J]. THEORETICA CHIMICA ACTA, 1971, 20 (03): : 273 - &

[4] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 1973 - &

[5] SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS .3. RESONANCE INTEGRAL IN WOLFSBERG-HELMHOLZ METHOD [J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (10) : 3827 - &

[6] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &

[7] CLEMENTI E, 1965, TABLES ATOMIC WAVEFU

[8] On the problem of defining the charge on an atom in a molecule [J]. CHEMICAL PHYSICS LETTERS, 1968, 1 (11) : 529 - 531

[9] SEMIEMPIRICAL MOLECULAR ORBITALS FOR GENERAL POLYATOMIC MOLECULES .2. 1-ELECTRON MODEL PREDICTION OF H-O-H ANGLE [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) : S157 - +

[10] Gaydon A. G., 1953, DISSOCIATION ENERGIE

[1] VALENCE ORBITAL IONIZATION POTENTIALS FROM ATOMIC SPECTRAL DATA [J]. THEORETICA CHIMICA ACTA, 1965, 3 (05): : 458 - &

[2] BASIS OF EXTENDED HUCKEL FORMALISM [J]. THEORETICA CHIMICA ACTA, 1968, 10 (04): : 316 - +

[3] NEAR-MINIMUM BASIS SET SCF CALCULATIONS ON HC1 AS A SOURCE OF TRANSFERABLE PARAMETERS [J]. THEORETICA CHIMICA ACTA, 1971, 20 (03): : 273 - &

[4] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 1973 - &

[5] SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS .3. RESONANCE INTEGRAL IN WOLFSBERG-HELMHOLZ METHOD [J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (10) : 3827 - &

[6] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &

[7] CLEMENTI E, 1965, TABLES ATOMIC WAVEFU

[8] On the problem of defining the charge on an atom in a molecule [J]. CHEMICAL PHYSICS LETTERS, 1968, 1 (11) : 529 - 531

[9] SEMIEMPIRICAL MOLECULAR ORBITALS FOR GENERAL POLYATOMIC MOLECULES .2. 1-ELECTRON MODEL PREDICTION OF H-O-H ANGLE [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) : S157 - +

[10] Gaydon A. G., 1953, DISSOCIATION ENERGIE