ABINITIO STUDIES ON POLYMERS .5. ALL-TRANS-POLYETHYLENE

[1] All-electrons band structure of polyethylene in the nearest cell approximation [J]. CHEMICAL PHYSICS LETTERS, 1970, 5 (02) : 71 - 74

[2] COMMENTS ON A COMPARISON OF PHOTOELECTRON-SPECTRUM AND CRYSTAL ORBITAL CALCULATIONS OF POLYETHYLENE [J]. CHEMICAL PHYSICS LETTERS, 1973, 23 (02) : 206 - 210

[3] NEED FOR COMPUTING DERIVATIVES OF ENERGY-BANDS IN BAND-STRUCTURE CALCULATIONS [J]. CHEMICAL PHYSICS LETTERS, 1972, 14 (04) : 485 - +

[4] ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P451

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

[6] THE ELECTRONIC-STRUCTURE OF POLYMERS BY THE FSGO (FLOATING SPHERICAL GAUSSIAN ORBITAL) METHOD [J]. THEORETICA CHIMICA ACTA, 1980, 57 (01): : 43 - 51

[7] LOW-TEMPERATURE CRYSTAL-STRUCTURE OF POLYETHYLENE - RESULTS FROM A NEUTRON-DIFFRACTION STUDY AND FROM POTENTIAL-ENERGY CALCULATIONS [J]. JOURNAL OF POLYMER SCIENCE PART C-POLYMER LETTERS, 1975, 13 (06) : 351 - 355

[8] ACHIEVEMENT OF HIGH-MODULUS POLYETHYLENE FIBERS AND THE MODULUS OF POLYETHYLENE CRYSTALS [J]. JOURNAL OF POLYMER SCIENCE PART C-POLYMER LETTERS, 1979, 17 (09) : 591 - 593

[9] INDO AND MINDO/2 CRYSTAL ORBITAL STUDY OF POLYACETYLENE, POLYETHYLENE, AND POLYGLYCINE [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) : 4744 - +

[10] COMPARISON OF PHOTOELECTRON SPECTRUM AND CRYSTAL ORBITAL CALCULATIONS OF POLYETHYLENE [J]. CHEMICAL PHYSICS LETTERS, 1973, 18 (04) : 570 - 571

[1] All-electrons band structure of polyethylene in the nearest cell approximation [J]. CHEMICAL PHYSICS LETTERS, 1970, 5 (02) : 71 - 74

[2] COMMENTS ON A COMPARISON OF PHOTOELECTRON-SPECTRUM AND CRYSTAL ORBITAL CALCULATIONS OF POLYETHYLENE [J]. CHEMICAL PHYSICS LETTERS, 1973, 23 (02) : 206 - 210

[3] NEED FOR COMPUTING DERIVATIVES OF ENERGY-BANDS IN BAND-STRUCTURE CALCULATIONS [J]. CHEMICAL PHYSICS LETTERS, 1972, 14 (04) : 485 - +

[4] ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P451

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

[6] THE ELECTRONIC-STRUCTURE OF POLYMERS BY THE FSGO (FLOATING SPHERICAL GAUSSIAN ORBITAL) METHOD [J]. THEORETICA CHIMICA ACTA, 1980, 57 (01): : 43 - 51

[7] LOW-TEMPERATURE CRYSTAL-STRUCTURE OF POLYETHYLENE - RESULTS FROM A NEUTRON-DIFFRACTION STUDY AND FROM POTENTIAL-ENERGY CALCULATIONS [J]. JOURNAL OF POLYMER SCIENCE PART C-POLYMER LETTERS, 1975, 13 (06) : 351 - 355

[8] ACHIEVEMENT OF HIGH-MODULUS POLYETHYLENE FIBERS AND THE MODULUS OF POLYETHYLENE CRYSTALS [J]. JOURNAL OF POLYMER SCIENCE PART C-POLYMER LETTERS, 1979, 17 (09) : 591 - 593

[9] INDO AND MINDO/2 CRYSTAL ORBITAL STUDY OF POLYACETYLENE, POLYETHYLENE, AND POLYGLYCINE [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) : 4744 - +

[10] COMPARISON OF PHOTOELECTRON SPECTRUM AND CRYSTAL ORBITAL CALCULATIONS OF POLYETHYLENE [J]. CHEMICAL PHYSICS LETTERS, 1973, 18 (04) : 570 - 571