STUDY OF ELECTRONIC-ENERGY BAND-STRUCTURE OF POLYETHYLENE USING MINDO-3

被引：29

作者：

DEWAR, MJS ^{[1
]}

SUCK, SH ^{[1
]}

WEINER, PK ^{[1
]}

机构：

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

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 29卷 / 02期

关键词：

D O I：

10.1016/0009-2614(74)85017-7

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：220 / 221

页数：2

共 15 条

[1] All-electrons band structure of polyethylene in the nearest cell approximation
Andre, J. -M
Leroy, G.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 5 (02) : 71 - 74
[2] André 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
ANDRE, JM
DELHALLE, J
DELHALLE, S
CAUDANO, R
PIREAUX, JJ
VERBIST, JJ
[J]. CHEMICAL PHYSICS LETTERS, 1973, 23 (02) : 206 - 210
[4] GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS
BAIRD, NC
DEWAR, MJS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1262 - &
[5] INDO AND MINDO/2 CRYSTAL ORBITAL STUDY OF POLYACETYLENE, POLYETHYLENE, AND POLYGLYCINE
BEVERIDGE, DL
LADIK, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) : 4744 - +
[6] COMPARISON OF PHOTOELECTRON SPECTRUM AND CRYSTAL ORBITAL CALCULATIONS OF POLYETHYLENE
BEVERIDGE, DL
WUN, W
[J]. CHEMICAL PHYSICS LETTERS, 1973, 18 (04) : 570 - 571
[7] BINGHAM RW, TO BE PUBLISHED
[8] GROUND STATES OF SIGMA-BONDED MOLECULES .10.EXTENSION OF MINDO/2 METHOD TO COMPOUNDS CONTAINING NITROGEN AND/OR OXYGEN
BODOR, N
DEWAR, MJS
HARGET, A
HASELBACH, E
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (13) : 3854 - +
[9] ELECTRONIC-STRUCTURE OF POLYETHYLENE - THEORY AND ESCA MEASUREMENTS
DELHALLE, J
ANDRE, JM
DELHALLE, S
PIREAUX, JJ
CAUDANO, R
VERBIST, JJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (02) : 595 - 600
[10] GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD
DEWAR, MJS
HASELBAC.E
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) : 590 - +

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