THE BAND-STRUCTURE OF POLYMERS - ITS CALCULATION AND INTERPRETATION .3. INTERPRETATION

被引：4
作者：
DUKE, BJ [1 ]
OLEARY, B [1 ]
机构：
[1] UNIV ALABAMA,BIRMINGHAM,AL 35294
来源：
JOURNAL OF CHEMICAL EDUCATION | 1988年 / 65卷 / 06期
关键词：
D O I：
10.1021/ed065p513
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：513 / 516
页数：4
相关论文
共 8 条
[1]   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
[2]   NEED FOR COMPUTING DERIVATIVES OF ENERGY-BANDS IN BAND-STRUCTURE CALCULATIONS [J].
ANDRE, JM ;
DELHALLE, J ;
LEROY, G ;
KAPSOMENOS, G .
CHEMICAL PHYSICS LETTERS, 1972, 14 (04) :485-+
[3]   INFLUENCE OF CROSS-SECTION ON DENSITY OF STATES DISTRIBUTION OF POLYETHYLENE [J].
DELHALLE, J ;
DELHALLE, S ;
ANDRE, JM .
CHEMICAL PHYSICS LETTERS, 1975, 34 (03) :430-433
[4]   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
[5]   THE SIMULATED ABINITIO MOLECULAR-ORBITAL (SAMO) METHOD .7. EXTENDED BASIS-SETS FOR MOLECULES AND POLYMERS [J].
DUKE, BJ ;
OLEARY, B .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (07) :3424-3433
[6]  
DUKE BJ, 1988, J CHEM ED, V61, P379
[7]  
DUKE BJ, 1988, J CHEM ED, V61, P319
[8]  
1984, ENCY POLYM SCI ENG
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