SYSTEMATIC ABINITIO CALCULATIONS ON ONE-DIMENSIONAL AND 3-DIMENSIONAL POLYETHYLENE

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

[2] Andre JM, 1971, CHEM PHYS LETT, V8, P195, DOI 10.1016/0009-2614(71)80012-X

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

[4] WAVE-MECHANICAL STUDIES OF LINEAR POLYMERS - CORRELATIONS BETWEEN CHARGE DISTRIBUTIONS AND ESCA CHEMICAL-SHIFTS IN POLYFLUOROETHYLENES [J]. CHEMICAL PHYSICS LETTERS, 1972, 17 (01) : 145 - 149

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

[6] The crystal structure of long-chain normal paraffin hydrocarbons. The "shape" of the > CH2 group. [J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1939, 35 (01): : 0482 - 0490

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

[8] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .14. POINT CHARGE PERTURBATION ON PERIODIC SYSTEMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (06) : 2492 - &

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

[10] INFLUENCE OF CROSS-SECTION ON DENSITY OF STATES DISTRIBUTION OF POLYETHYLENE [J]. CHEMICAL PHYSICS LETTERS, 1975, 34 (03) : 430 - 433

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

[2] Andre JM, 1971, CHEM PHYS LETT, V8, P195, DOI 10.1016/0009-2614(71)80012-X

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

[4] WAVE-MECHANICAL STUDIES OF LINEAR POLYMERS - CORRELATIONS BETWEEN CHARGE DISTRIBUTIONS AND ESCA CHEMICAL-SHIFTS IN POLYFLUOROETHYLENES [J]. CHEMICAL PHYSICS LETTERS, 1972, 17 (01) : 145 - 149

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

[6] The crystal structure of long-chain normal paraffin hydrocarbons. The "shape" of the > CH2 group. [J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1939, 35 (01): : 0482 - 0490

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

[8] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .14. POINT CHARGE PERTURBATION ON PERIODIC SYSTEMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (06) : 2492 - &

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

[10] INFLUENCE OF CROSS-SECTION ON DENSITY OF STATES DISTRIBUTION OF POLYETHYLENE [J]. CHEMICAL PHYSICS LETTERS, 1975, 34 (03) : 430 - 433