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
来源：
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS | 1973年 / 38卷 / 10期
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
[31]   INNER IONIZATION POTENTIALS OF AROMATIC COMPOUNDS [J].
ELAND, JHD ;
DANBY, CJ .
ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE, 1968, A 23 (03) :355-&
[32]  
ERLANDSSON G, 1955, ARK FYS, V9, P341
[33]  
ERLANDSSON G, 1954, ARK FYS, V8, P341
[34]   A REFINEMENT OF STRUCTURE OF BIPHENYLENE [J].
FAWCETT, JK ;
TROTTER, J .
ACTA CRYSTALLOGRAPHICA, 1966, 20 :87-&
[35]  
HALA E, 1971, FYZIKALNI CHEMIE 1
[36]   CALCULATION OF EXCITED STATE AND GROUND STATE PROPERTIES OF CONJUGATED HETEROATOMIC MOLECULES USING A SINGLE SCF-LCAO-CI METHOD INCLUDING ORTHO-POLARIZATION [J].
HAMMOND, HA .
THEORETICA CHIMICA ACTA, 1970, 18 (03) :239-&
[37]  
HANGEN W, 1966, ACTA CHEM SCAND, V20, P1726
[38]   CRYSTAL AND MOLECULAR STRUCTURE OF BIPHENYL [J].
HARGREAVES, A ;
RIZVI, SH .
ACTA CRYSTALLOGRAPHICA, 1962, 15 (APR) :365-&
[39]   APPLICATION OF PHOTOELECTRON-SPECTROSCOPY .21. PHOTOELECTRON-SPECTROSCOPIC EVIDENCE FOR ORBITAL SEQUENCE IN FULVENE AND 3,4-DIMETHYLENE-CYCLOBUTENE [J].
HEILBRONNER, E ;
GLEITER, R ;
HOPF, H ;
HORNUNG, V ;
MEIJERE, AD .
HELVETICA CHIMICA ACTA, 1971, 54 (03) :783-+
[40]   ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS [J].
HINZE, J ;
JAFFE, HH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (04) :540-&
12345678910