ABINITIO EFFECTIVE CORE POTENTIAL STUDIES ON POLYMERS

[1] SELF-CONSISTENT FIELD THEORY FOR ELECTRONIC STRUCTURE OF POLYMERS [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) : 1536 - &

[2] SOME ASPECTS OF BONDING AND BINDING IN POLYMERIC CHAINS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 19 (06) : 1105 - 1111

[3] SYSTEMATIC ABINITIO CALCULATIONS ON ONE-DIMENSIONAL AND 3-DIMENSIONAL POLYETHYLENE [J]. THEORETICA CHIMICA ACTA, 1978, 50 (03): : 193 - 209

[4] BINKLEY JS, LP31G BASIS SETS TAK

[5] PHOTOELECTRON-SPECTRA AND MOLECULAR-PROPERTIES .51. IONIZATION-POTENTIALS OF SILANES SINH2N+2 [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (03) : 668 - 674

[6] BREDAS J, 1982, J CHEM PHYS, V75, P255

[7] COLLINS TC, 1975, ELECTRONIC STRUCTURE, P405

[8] ELECTRONIC-STRUCTURE OF POLYETHYLENE - THEORY AND ESCA MEASUREMENTS [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (02) : 595 - 600

[9] SELF-CONSISTENT-FIELD TIGHT-BINDING TREATMENT OF POLYMERS .I. INFINITE 3-DIMENSIONAL CASE [J]. PHYSICAL REVIEW, 1967, 155 (03): : 997 - &

[10] MO STUDIES OF POLYMERS .1. USE OF MNDO TO CALCULATE GEOMETRIES, VIBRATIONAL FREQUENCIES AND THE ELECTRONIC BAND STRUCTURES OF POLYMERS - FORMALISM AND APPLICATION TO POLYETHYLENE [J]. CHEMICAL PHYSICS, 1979, 43 (02) : 145 - 156

[1] SELF-CONSISTENT FIELD THEORY FOR ELECTRONIC STRUCTURE OF POLYMERS [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) : 1536 - &

[2] SOME ASPECTS OF BONDING AND BINDING IN POLYMERIC CHAINS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 19 (06) : 1105 - 1111

[3] SYSTEMATIC ABINITIO CALCULATIONS ON ONE-DIMENSIONAL AND 3-DIMENSIONAL POLYETHYLENE [J]. THEORETICA CHIMICA ACTA, 1978, 50 (03): : 193 - 209

[4] BINKLEY JS, LP31G BASIS SETS TAK

[5] PHOTOELECTRON-SPECTRA AND MOLECULAR-PROPERTIES .51. IONIZATION-POTENTIALS OF SILANES SINH2N+2 [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (03) : 668 - 674

[6] BREDAS J, 1982, J CHEM PHYS, V75, P255

[7] COLLINS TC, 1975, ELECTRONIC STRUCTURE, P405

[8] ELECTRONIC-STRUCTURE OF POLYETHYLENE - THEORY AND ESCA MEASUREMENTS [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (02) : 595 - 600

[9] SELF-CONSISTENT-FIELD TIGHT-BINDING TREATMENT OF POLYMERS .I. INFINITE 3-DIMENSIONAL CASE [J]. PHYSICAL REVIEW, 1967, 155 (03): : 997 - &

[10] MO STUDIES OF POLYMERS .1. USE OF MNDO TO CALCULATE GEOMETRIES, VIBRATIONAL FREQUENCIES AND THE ELECTRONIC BAND STRUCTURES OF POLYMERS - FORMALISM AND APPLICATION TO POLYETHYLENE [J]. CHEMICAL PHYSICS, 1979, 43 (02) : 145 - 156