MNDO STUDY OF ELECTRONIC BAND-STRUCTURE OF POLYETHYLENE

被引：19

作者：

DEWAR, MJS

YAMAGUCHI, Y

SUCK, SH

机构：

[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712

[2] UNIV TEXAS,DEPT CHEM ENGN,AUSTIN,TX 78712

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 50卷 / 02期

关键词：

D O I：

10.1016/0009-2614(77)80176-0

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

页码：259 / 261

页数：3

共 17 条

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Leroy, G. .

CHEMICAL PHYSICS LETTERS, 1970, 5 (02) :71-74

[2] COMMENTS ON A COMPARISON OF PHOTOELECTRON-SPECTRUM AND CRYSTAL ORBITAL CALCULATIONS OF POLYETHYLENE [J].

ANDRE, JM ;

DELHALLE, J ;

DELHALLE, S ;

CAUDANO, R ;

PIREAUX, JJ ;

VERBIST, JJ .

CHEMICAL PHYSICS LETTERS, 1973, 23 (02) :206-210

[3] INDO AND MINDO/2 CRYSTAL ORBITAL STUDY OF POLYACETYLENE, POLYETHYLENE, AND POLYGLYCINE [J].

BEVERIDGE, DL ;

LADIK, J .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) :4744-+

[4] COMPARISON OF PHOTOELECTRON SPECTRUM AND CRYSTAL ORBITAL CALCULATIONS OF POLYETHYLENE [J].

BEVERIDGE, DL ;

WUN, W .

CHEMICAL PHYSICS LETTERS, 1973, 18 (04) :570-571

[5] GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1302-1306

[6] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293

[7] CORRELATION OF EXPERIMENTAL AND THEORETICAL ELECTRON BAND ENERGIES OF POLYETHYLENE [J].

BLOOR, D .

CHEMICAL PHYSICS LETTERS, 1976, 40 (02) :323-325

[8] ELECTRONIC-STRUCTURE OF POLYETHYLENE - THEORY AND ESCA MEASUREMENTS [J].

DELHALLE, J ;

ANDRE, JM ;

DELHALLE, S ;

PIREAUX, JJ ;

CAUDANO, R ;

VERBIST, JJ .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (02) :595-600

[9] 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-&

[10] STUDY OF ELECTRONIC-ENERGY BAND-STRUCTURE OF POLYETHYLENE USING MINDO-3 [J].

DEWAR, MJS ;

SUCK, SH ;

WEINER, PK .

CHEMICAL PHYSICS LETTERS, 1974, 29 (02) :220-221

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