QUANTUM CHEMICAL CALCULATIONS ON BUCKMINSTERFULLERENE AND RELATED STRUCTURES .2. THE ELECTRONIC-STRUCTURE AND SPECTRA OF SOME CN AND CNCA2+ CAGES

被引:40
作者
FENG, JK [1 ]
LI, J [1 ]
LI, ZR [1 ]
ZERNER, MC [1 ]
机构
[1] UNIV FLORIDA,DEPT CHEM,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
关键词
D O I
10.1002/qua.560390311
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
[No abstract available]
引用
收藏
页码:331 / 344
页数:14
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共 31 条
[1]  
CANUTO S, UNPUB
[2]   C60LA - A DEFLATED SOCCER BALL [J].
COX, DM ;
TREVOR, DJ ;
REICHMANN, KC ;
KALDOR, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (09) :2457-2458
[3]   QUANTUM-CHEMICAL INVESTIGATION OF BUCKMINSTERFULLERENE AND RELATED CARBON CLUSTERS .1. THE ELECTRONIC-STRUCTURE AND UV SPECTRA OF BUCKMINSTERFULLERENE, AND OTHER C60 CAGES [J].
FENG, JK ;
LI, J ;
WANG, ZZ ;
ZERNER, MC .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1990, 37 (04) :599-607
[4]   PI-SYSTEMS IN 3 DIMENSIONS [J].
FOWLER, PW ;
WOOLRICH, J .
CHEMICAL PHYSICS LETTERS, 1986, 127 (01) :78-83
[5]   HOW UNUSUAL IS C-60 - MAGIC NUMBERS FOR CARBON CLUSTERS [J].
FOWLER, PW .
CHEMICAL PHYSICS LETTERS, 1986, 131 (06) :444-450
[6]   REHYBRIDIZATION AND PI-ORBITAL ALIGNMENT - THE KEY TO THE EXISTENCE OF SPHEROIDAL CARBON CLUSTERS [J].
HADDON, RC ;
BRUS, LE ;
RAGHAVACHARI, K .
CHEMICAL PHYSICS LETTERS, 1986, 131 (03) :165-169
[7]   ELECTRONIC-STRUCTURE AND BONDING IN ICOSAHEDRAL C-60 [J].
HADDON, RC ;
BRUS, LE ;
RAGHAVACHARI, K .
CHEMICAL PHYSICS LETTERS, 1986, 125 (5-6) :459-464
[9]   C-120 AND C-60 - ARCHIMEDEAN SOLIDS CONSTRUCTED FROM SP2 HYBRIDIZED CARBON-ATOMS [J].
HAYMET, ADJ .
CHEMICAL PHYSICS LETTERS, 1985, 122 (05) :421-424