INDO AND MINDO/2 CRYSTAL ORBITAL STUDY OF POLYACETYLENE, POLYETHYLENE, AND POLYGLYCINE

被引：70
作者：
BEVERIDGE, DL
LADIK, J
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1972年 / 56卷 / 10期
关键词：
D O I：
10.1063/1.1676947
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：4744 / +
页数：1
相关论文
共 49 条
[1]   THEORETICAL STUDY OF AN INFINITE POLYENIC CHAIN BY LCAO-SCF-CO METHOD [J].
ANDRE, JM ;
LEROY, G .
THEORETICA CHIMICA ACTA, 1967, 9 (02) :123-&
[2]   SELF-CONSISTENT FIELD THEORY FOR ELECTRONIC STRUCTURE OF POLYMERS [J].
ANDRE, JM .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) :1536-&
[3]  
ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P451
[4]  
ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P427
[5]   ENERGY BAND STRUCTURE CALCULATIONS FOR POLY (A-T) AND POLY (G-C) IN SEMIEMPIRICAL SCF LCAO CRYSTAL ORBITAL APPROXIMATION [J].
AVERY, J ;
PACKER, J ;
LADIK, J ;
BICZO, G .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1969, 29 (02) :194-&
[6]   GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS [J].
BAIRD, NC ;
DEWAR, MJS .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1262-&
[7]   SEMICONDUCTION IN NUCLEIC ACID AND ITS COMPONENTS [J].
BURNEL, ME ;
ELEY, DO ;
SUBRAMANYAN, V .
ANNALS OF THE NEW YORK ACADEMY OF SCIENCES, 1969, 158 (A1) :191-+
[8]   SELF-CONSISTENT-FIELD TIGHT-BINDING TREATMENT OF POLYMERS .I. INFINITE 3-DIMENSIONAL CASE [J].
DELRE, G ;
LADIK, J ;
BICZO, G .
PHYSICAL REVIEW, 1967, 155 (03) :997-&
[9]   GROUND STATES OF SIGMA-BONDED MOLECULES .I. A SEMIEMPIRICAL SCF MO TREATMENT OF HYDROCARBONS [J].
DEWAR, MJS ;
KLOPMAN, G .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (13) :3089-&
[10]   GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD [J].
DEWAR, MJS ;
HASELBAC.E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) :590-+
12345