STRUCTURES OF SMALL CARBON CLUSTERS - CYCLIC GROUND-STATE OF C-6

被引：141

作者：

RAGHAVACHARI, K ^{[1
]}

WHITESIDE, RA ^{[1
]}

POPLE, JA ^{[1
]}

机构：

[1] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 85卷 / 11期

关键词：

D O I：

10.1063/1.451444

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：6623 / 6628

页数：6

共 43 条

[1] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL [J].

AHLRICHS, R ;

SCHARF, P ;

EHRHARDT, C .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) :890-898

[2]

BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8

[3] KINETICS OF AGGREGATION OF CARBON CLUSTERS [J].

BERNHOLC, J ;

PHILLIPS, JC .

PHYSICAL REVIEW B, 1986, 33 (10) :7395-7398

[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[5] NEGATIVE AND POSITIVE CLUSTER IONS OF CARBON AND SILICON [J].

BLOOMFIELD, LA ;

GEUSIC, ME ;

FREEMAN, RR ;

BROWN, WL .

CHEMICAL PHYSICS LETTERS, 1985, 121 (1-2) :33-37

[6]

CIZEK J, 1966, J CHEM PHYS, V45, P4256

[7]

DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013

[8] MASS SPECTROMETRIC STUDY OF CARBON VAPOR [J].

DROWART, J ;

BURNS, RP ;

DEMARIA, G ;

INGHRAM, MG .

JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (04) :1131-1132

[9] CALCULATION OF ELASTIC-CONSTANTS OF NEMATIC LIQUID-CRYSTALS USING AN ANISOTROPIC LENNARD-JONES POTENTIAL [J].

DUNMUR, DA ;

MILLER, WH .

CHEMICAL PHYSICS LETTERS, 1982, 86 (04) :353-358

[10] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS [J].

FRISCH, MJ ;

POPLE, JA ;

BINKLEY, JS .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3265-3269

← 1 2 3 4 5 →