Potential energy curves for the HNO molecule

被引:32
作者
Salotto, A. W. [1 ]
Burnelle, L. [1 ]
机构
[1] NYU, Dept Chem, New York, NY 10003 USA
关键词
D O I
10.1016/0009-2614(69)80053-9
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
Potential curves for the HNO molecule calculated by the unrestricted Hartree-Fock method are given. Comparisons are made with experimental spectroscopic and kinetics results, and possible mechanisms explaining the observed features are presented and discussed.
引用
收藏
页码:80 / 83
页数:4
相关论文
共 12 条
[1]   SINGLE DETERMINANT WAVE FUNCTIONS [J].
AMOS, AT ;
HALL, GG .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+
[2]   ABSORPTION SPECTRA OF HNO AND DNO [J].
BANCROFT, JL ;
HOLLAS, JM ;
RAMSAY, DA .
CANADIAN JOURNAL OF PHYSICS, 1962, 40 (03) :322-&
[3]   PREDISSOCIATION IN HNO MOLECULE [J].
CLEMENT, MJ ;
RAMSAY, DA .
CANADIAN JOURNAL OF PHYSICS, 1961, 39 (01) :205-&
[4]  
CLYNE MAA, 1962, DISCUSS FARADAY SOC, P139
[5]   NON-EMPIRICAL LCAO-MO-SCF-CI CALCULATIONS ON ORGANIC MOLECULES WITH GAUSSIAN TYPE FUNCTIONS .I. INTRODUCTORY REVIEW AND MATHEMATICAL FORMALISM [J].
CSIZMADI.IG ;
HARRISON, MC ;
MOSKOWIT.JW ;
SUTCLIFF.BT .
THEORETICA CHIMICA ACTA, 1966, 6 (03) :191-&
[6]   THE SPECTRUM AND STRUCTURE OF THE HNO MOLECULE [J].
DALBY, FW .
CANADIAN JOURNAL OF PHYSICS, 1958, 36 (10) :1336-&
[7]  
ELLIS DE, 1966, THESIS MIT
[8]   SECOND-ORDER DENSITY MATRIX FOR A SPIN-PROJECTED SINGLE DETERMINANT [J].
HARDISSON, A ;
HARRIMAN, JE .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (09) :3639-+
[9]  
HARRIMAN JE, 1964, J CHEM PHYS, V40, P287
[10]  
HERZBERG G, 1966, ELECT SPECTRA POLYAT