ABINITIO SCF-MO CALCULATIONS ON CH3BR MOLECULE

[1] AB-INITIO CALCULATIONS OF CORE ELECTRON BINDING-ENERGIES AND SHIFTS IN HALOMETHANES [J]. THEORETICA CHIMICA ACTA, 1973, 31 (02): : 171 - 182

[2] ALMLOF J, 1973, 1972 P SEM COMP PROB, P14

[3] STUDY OF CONTACT-TERM CONTRIBUTION TO HYPERFINE STRUCTURE OBTAINED FROM SPIN-UNRESTRICTED HARTREE-FOCK WAVE FUNCTIONS [J]. PHYSICAL REVIEW A-GENERAL PHYSICS, 1970, 2 (03): : 555 - &

[4] BAGUS PS, 1972, RJ1077 IBM RES REP

[5] BAUSCHLICHER CW, TO BE PUBLISHED

[6] AB INITIO CALCULATIONS ON A TYPICAL SN2REACTION - ELECTRONIC STRUCTURE OF METHYL FLUORIDE AND OF TRANSITION STATE (FCH3F)- [J]. THEORETICA CHIMICA ACTA, 1969, 14 (04): : 329 - &

[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[8] DUNNING TH, UNPUBLISHED

[9] ELECTRONIC STRUCTURE OF CARBENES .1. CH2, CHF, AND CF2 [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (17) : 4112 - &

[10] HERTZBERG G, 1966, ELECTRONIC SPECTRA P

[1] AB-INITIO CALCULATIONS OF CORE ELECTRON BINDING-ENERGIES AND SHIFTS IN HALOMETHANES [J]. THEORETICA CHIMICA ACTA, 1973, 31 (02): : 171 - 182

[2] ALMLOF J, 1973, 1972 P SEM COMP PROB, P14

[3] STUDY OF CONTACT-TERM CONTRIBUTION TO HYPERFINE STRUCTURE OBTAINED FROM SPIN-UNRESTRICTED HARTREE-FOCK WAVE FUNCTIONS [J]. PHYSICAL REVIEW A-GENERAL PHYSICS, 1970, 2 (03): : 555 - &

[4] BAGUS PS, 1972, RJ1077 IBM RES REP

[5] BAUSCHLICHER CW, TO BE PUBLISHED

[6] AB INITIO CALCULATIONS ON A TYPICAL SN2REACTION - ELECTRONIC STRUCTURE OF METHYL FLUORIDE AND OF TRANSITION STATE (FCH3F)- [J]. THEORETICA CHIMICA ACTA, 1969, 14 (04): : 329 - &

[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[8] DUNNING TH, UNPUBLISHED

[9] ELECTRONIC STRUCTURE OF CARBENES .1. CH2, CHF, AND CF2 [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (17) : 4112 - &

[10] HERTZBERG G, 1966, ELECTRONIC SPECTRA P