EQUILIBRIUM GEOMETRIES, MAGIC NUMBERS AND ELECTRONIC-STRUCTURE OF SMALL CARBON CLUSTERS

被引：44

作者：

RAO, BK

KHANNA, SN

JENA, P

机构：

来源：

SOLID STATE COMMUNICATIONS | 1986年 / 58卷 / 01期

关键词：

D O I：

10.1016/0038-1098(86)90886-0

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

引用

页码：53 / 56

页数：4

共 19 条

[1]

BLOOMFIELD LA, CHEM PHYS LETT

[2] ELECTRONIC STATES IN C4 MOLECULE [J].

CLEMENTI, E .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (22) :4501-&

[3]

CLEMENTI E, 1961, J CHEM PHYS, V36, P2824

[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[5] ELECTRONIC STRUCTURE OF C2 [J].

FOUGERE, PF ;

NESBET, RK .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :285-&

[6]

Friedel J., 1984, Physics and Chemistry of Electrons and Ions in Condensed Matter. Proceedings of the NATO Advanced Study Institute, P45

[7]

GAUSSET L, 1963, DISCUSS FARADAY SOC, V35, P1131

[8] C-4 MOLECULE [J].

GRAHAM, WRM ;

DISMUKE, KI ;

WELTNER, W .

ASTROPHYSICAL JOURNAL, 1976, 204 (01) :301-310

[9]

GUNARSSON O, 1977, J CHEM PHYS, V67, P3970

[10] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].

HARIHARA.PC ;

POPLE, JA .

THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222

← 1 2 →