THE ELECTRONIC-POSITRONIC STRUCTURE OF POSITRON PSEUDOHALIDE SYSTEMS - [OH- - E+], [SH- - E+], [CN- - E+], AND [N3- - E+]

被引:24
作者
KAO, CM [1 ]
CADE, PE [1 ]
机构
[1] UNIV MASSACHUSETTS, DEPT CHEM, AMHERST, MA 01003 USA
关键词
D O I
10.1063/1.447076
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:3234 / 3245
页数:12
相关论文
共 55 条
[1]   THEORETICAL INVESTIGATION OF ELECTRONIC STRUCTURE AND PROPERTIES OF N3-, N3, AND N3+ [J].
ARCHIBAL.TW ;
SABIN, JR .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04) :1821-&
[2]   PHOTOIONIZATION OF HCN - ELECTRON AFFINITY AND HEAT OF FORMATION OF CN [J].
BERKOWIT.J ;
CHUPKA, WA ;
WALTER, TA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) :1497-&
[3]   SCF MINIMAL BASIS SET CALCULATIONS AND EXCLUSIVE ORBITALS FOR CN- HCN N3- HN3 NCO- AND HNCO [J].
BONACCOR.R ;
PETRONGO.C ;
SCROCCO, E ;
TOMASI, J .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (04) :1500-&
[4]   ELECTRONIC-STRUCTURE AND POSITRON-ANNIHILATION CHARACTERISTICS OF POSITRONIUM HALIDES [X-- E+] .1. HARTREE-FOCK CALCULATIONS AND STABILITY [J].
CADE, PE ;
FARAZDEL, A .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (06) :2598-2611
[6]  
CADE PE, UNPUB
[7]  
CHRISTOPHOROU LG, 1971, ATOMIC MOLECULAR RAD, pCH6
[8]   COMPARISON OF MINIMIZATION PROCEDURES FOR UHF WAVE FUNCTIONS [J].
CLAXTON, TA ;
SMITH, NA .
THEORETICA CHIMICA ACTA, 1971, 22 (04) :399-&
[9]   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-+
[10]  
Dunning T., 1977, METHODS ELECT STRUCT, P1