A PRELIMINARY THEORETICAL-STUDY OF THE SIC2H RADICAL - IMPLICATIONS IN ASTROPHYSICS

被引:25
作者
LARGOCABRERIZO, A [1 ]
FLORES, JR [1 ]
机构
[1] UNIV KENT,CHEM LAB,CANTERBURY CT2 7NH,KENT,ENGLAND
关键词
D O I
10.1016/0009-2614(88)80229-X
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
收藏
页码:90 / 94
页数:5
相关论文
共 16 条
[1]   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
[2]  
BINKLEY JS, 1974, MOL PHYS, V28, P1423, DOI 10.1080/00268977400102701
[3]  
BINKLEY JS, 1983, GAUSSIAN 82
[4]   A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J].
FLETCHER, R ;
POWELL, MJD .
COMPUTER JOURNAL, 1963, 6 (02) :163-&
[5]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].
FRANCL, MM ;
PIETRO, WJ ;
HEHRE, WJ ;
BINKLEY, JS ;
GORDON, MS ;
DEFREES, DJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665
[6]   AN ENERGETICALLY LOW-LYING SILACYCLOPROPYNE ISOMER OF SIC2 [J].
GREV, RS ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (08) :3552-3555
[7]  
GUELIN M, 1986, ASTRON ASTROPHYS, V157, pL17
[8]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222
[9]   MICROWAVE SPECTRUM, STRUCTURE, AND INTERNAL BARRIER OF METHYL SILANE [J].
KILB, RW ;
PIERCE, L .
JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (01) :108-112
[10]   CONTRIBUTION OF TRIPLE SUBSTITUTIONS TO THE ELECTRON CORRELATION-ENERGY IN 4TH ORDER PERTURBATION-THEORY [J].
KRISHNAN, R ;
FRISCH, MJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (07) :4244-4245