CRITICAL RE-EXAMINATION OF SEMIEMPIRICAL PARAMETERS USED IN PI-ELECTRONIC METHODS OF PPP-TYPE

被引:34
作者
PANCIR, J [1 ]
MATOUSEK, I [1 ]
ZAHRADNI.R [1 ]
机构
[1] CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, 121 38 PRAGUE 2, CZECHOSLOVAKIA
关键词
D O I
10.1135/cccc19733039
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:3039 / 3066
页数:28
相关论文
共 101 条
[1]   AN IMPROVED LCAO-MO-SCF PI-ELECTRON METHOD .2. HYDROCARBONS AND NITROGEN AND OXYGEN HETEROCYCLES [J].
ADAMS, OW ;
MILLER, RL .
THEORETICA CHIMICA ACTA, 1968, 12 (02) :151-&
[2]   ELECTRONIC SPECTRA OF UNSATURATED HYDROCARBONS A VESCF-CI TREATMENT [J].
ALLINGER, NL ;
TAI, JC ;
STUART, TW .
THEORETICA CHIMICA ACTA, 1967, 8 (02) :101-&
[3]   AN ATTEMPT TO DETERMINE STRUCTURE PARAMETERS OF CONDENSED RING HYDROCARBONS USING ELECTRON-DIFFRACTION METHOD IN GAS MOLECULES [J].
ALMENNINGEN, A ;
DYVIK, F ;
BASTIANSEN, O .
ACTA CRYSTALLOGRAPHICA, 1961, 14 (10) :1056-&
[4]  
ANTHOINE G, 1964, B SOC CHIM BELG, V73, P65
[5]  
ASTAFEV IV, 1959, OPT SPECTROSC, V6, P410
[6]   THERMODYNAMIC PROPERTIES OF GASEOUS 1,3-BUTADIENE AND THE NORMAL BUTENES ABOVE 25-DEGREES C - EQUILIBRIA IN THE SYSTEM 1,3-BUTADIENE, N-BUTENES, AND N-BUTANE [J].
ASTON, JG ;
SZASZ, G ;
WOOLLEY, HW ;
BRICKWEDDE, FG .
JOURNAL OF CHEMICAL PHYSICS, 1946, 14 (02) :67-79
[7]   POLYNUCLEAR HETEROCYCLIC SYSTEMS .11. ABSORPTION SPECTRA OF COMPOUNDS CONTAINING 5-MEMBERED RINGS [J].
BADGER, GM ;
CHRISTIE, BJ .
JOURNAL OF THE CHEMICAL SOCIETY, 1956, (SEP) :3438-3442
[8]   MICROWAVE DETERMINATION OF THE STRUCTURE OF PYRROLE [J].
BAK, B ;
CHRISTENSEN, D ;
HANSEN, L ;
RASTRUPANDERSEN, J .
JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (04) :720-725
[9]   MICROWAVE DETERMINATION OF THE STRUCTURE OF PYRIDINE [J].
BAK, B ;
HANSEN, L ;
RASTRUPANDERSEN, J .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (12) :2013-2017
[10]  
BAK B, 1955, DISCUSS FARADAY SOC, P30