ABINITIO CALCULATIONS OF THE ELECTRONIC-STRUCTURE OF HELICAL POLYMERS

被引：32

作者：

ANDRE, JM

VERCAUTEREN, DP

BODART, VP

FRIPIAT, JG

机构：

[1] FAC UNIV NAMUR,CHIM THEOR APPL LAB,B-5000 NAMUR,BELGIUM

[2] NATL FDN CANC RES,BETHESDA,MD 20814

来源：

关键词：

D O I：

10.1002/jcc.540050606

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：535 / 547

页数：13

共 37 条

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ANDRE, JM
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[4] NEED FOR COMPUTING DERIVATIVES OF ENERGY-BANDS IN BAND-STRUCTURE CALCULATIONS
ANDRE, JM
DELHALLE, J
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KAPSOMENOS, G
[J]. CHEMICAL PHYSICS LETTERS, 1972, 14 (04) : 485 - +
[5] ANDRE JM, 1984, QUANTUM THEORY POLYM
[6] ANDRE JM, 1983, IBM POK28 TECHN REP
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[8] ANDRE JM, J COMPUT CHEM
[9] BINKLEY JS, 1981, QCPE, V13, P406
[10] ENERGY-BAND CALCULATIONS ON HELICAL SYSTEMS
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[J]. PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1977, 83 (02): : 425 - 431