SPECTROSCOPIC PROPERTIES OF THE METHYL RADICAL CALCULATED FROM UHF SCEP WAVEFUNCTIONS

被引：81
作者：
BOTSCHWINA, P
FLESCH, J
MEYER, W
机构：
来源：
CHEMICAL PHYSICS | 1983年 / 74卷 / 03期
关键词：
D O I：
10.1016/0301-0104(83)85184-2
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：321 / 338
页数：18
相关论文
共 60 条
[1]  
AHLRICHS R, 1981, 5TH P SEM COMP METH
[2]   DIFFERENCE FREQUENCY LASER SPECTROSCOPY OF THE UPSILON-3-BAND OF THE CH3 RADICAL [J].
AMANO, T ;
BERNATH, PF ;
YAMADA, C ;
ENDO, Y ;
HIROTA, E .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (11) :5284-5287
[3]   REPRESENTATIONS OF MOLECULAR-FORCE FIELDS .5. EQUILIBRIUM STRUCTURE OF METHANE [J].
BARTELL, LS ;
KUCHITSU, K .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (03) :1213-1215
[4]   AN INDO-MOLECULAR ORBITAL STUDY OF VIBRONIC EFFECTS IN ISOTOPICALLY SUBSTITUTED METHYL RADICALS [J].
BEVERIDG.DL ;
MILLER, K .
MOLECULAR PHYSICS, 1968, 14 (05) :401-&
[5]  
BEVERIDGE DL, 1971, MOL PHYS, V21, P768
[6]   PNO-CEPA CALCULATION OF COLLINEAR POTENTIAL-ENERGY BARRIERS FOR THERMONEUTRAL EXCHANGE-REACTIONS [J].
BOTSCHWINA, P ;
MEYER, W .
CHEMICAL PHYSICS, 1977, 20 (01) :43-52
[7]  
BOTSCHWINA P, 1980, THESIS KAISERSLAUTER
[8]   DETERMINATION OF B0 FROM NU-3 RAMAN BAND OF CD4 [J].
BRODERSEN, S ;
GRAY, DL ;
ROBIETTE, AG .
MOLECULAR PHYSICS, 1977, 34 (03) :617-628
[9]   OSCILLATOR-STRENGTHS OF BANDS OF B2A'1-X2A''2 SYSTEM OF CD3 AND A SPECTROSCOPIC MEASUREMENT OF RECOMBINATION RATE - COMPARISON WITH CH-3 [J].
CALLEAR, AB ;
METCALFE, MP .
CHEMICAL PHYSICS, 1976, 14 (02) :275-284
[10]   LEGITIMATE CALCULATION OF 1ST-ORDER MOLECULAR-PROPERTIES IN THE CASE OF LIMITED CI FUNCTIONS - DIPOLE-MOMENTS [J].
DIERCKSEN, GHF ;
ROOS, BO ;
SADLEJ, AJ .
CHEMICAL PHYSICS, 1981, 59 (1-2) :29-39
123456