THE CNDO/S3 CRYSTAL ORBITAL MODEL - DEFINITION AND APPLICATION TO POLYACETYLENE

被引:46
作者
FORD, WK
DUKE, CB
PATON, A
机构
关键词
D O I
10.1063/1.444407
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:4564 / 4572
页数:9
相关论文
共 43 条
  • [1] ANDRE JM, 1978, INT J QUANTUM CHEM, V12, P233
  • [2] POLYACETYLENE AND RELATIVISTIC FIELD-THEORY MODELS
    BISHOP, AR
    CAMPBELL, DK
    FESSER, K
    [J]. MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1981, 77 (1-4): : 253 - 264
  • [3] ENERGY-BAND CALCULATIONS ON HELICAL SYSTEMS
    BLUMEN, A
    MERKEL, C
    [J]. PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1977, 83 (02): : 425 - 431
  • [4] Callaway J., 1976, QUANTUM THEORY SOLID
  • [5] ELECTRONIC BAND STRUCTURES AND ELECTRONIC-PROPERTIES OF SOME SUBSTITUTED LINEAR POLYENES
    CETINA, EA
    PERKINS, PG
    [J]. THEORETICA CHIMICA ACTA, 1981, 58 (04): : 257 - 283
  • [7] Duke C. B., 1981, Conductive Polymers. Proceedings of a Symposium on Conductive Polymers, P155
  • [8] ELECTRONIC-STRUCTURE OF 1,2-DI(P-TOLYL)ETHANE AND OF PURE AND SUBSTITUTED [2,2]PARACYCLOPHANE
    DUKE, CB
    LIPARI, NO
    SALANECK, WR
    SCHEIN, LB
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) : 1758 - 1767
  • [9] ELECTRONIC-STRUCTURE OF POLYENES AND POLYACETYLENE
    DUKE, CB
    PATON, A
    SALANECK, WR
    THOMAS, HR
    PLUMMER, EW
    HEEGER, AJ
    MACDIARMID, AG
    [J]. CHEMICAL PHYSICS LETTERS, 1978, 59 (01) : 146 - 150
  • [10] POLYMERS AND MOLECULAR SOLIDS - NEW FRONTIERS IN SURFACE SCIENCE
    DUKE, CB
    [J]. SURFACE SCIENCE, 1978, 70 (01) : 674 - 691