REPULSION INTEGRAL PARAMETRIZATION OF SCF LCAO MO CL METHOD FOR NITROGEN HETEROAROMATES

被引:15
作者
CHOJNACKI, H
机构
来源
THEORETICA CHIMICA ACTA | 1968年 / 11卷 / 02期
关键词
D O I
10.1007/BF01184327
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:174 / +
页数:1
相关论文
共 21 条
[1]   COMPLETE DETERMINATION OF THE STRUCTURE OF PYRIDINE BY MICROWAVE SPECTRA [J].
BAK, B ;
HANSENNYGAARD, L ;
RASTRUPANDERSEN, J .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1958, 2 (04) :361-368
[2]   THEORETICAL STUDY OF ELECTRONIC PROPERTIES OF PURINE AND PYRIMIDINE COMPONENTS OF NUCLEIC ACIDS .I. A SEMI-EMPIRICAL SELF-CONSISTENT-FIELD CALCULATION [J].
BERTHOD, H ;
GIESSNER.C ;
PULLMAN, A .
THEORETICA CHIMICA ACTA, 1966, 5 (01) :53-&
[3]   VAPOR ABSORPTION SPECTRA OF S-TRIAZINE AND THE METHYLTRIAZINES IN THE 1650-2000 A REGION [J].
BRINEN, JS ;
HIRT, RC ;
SCHMITT, RG .
SPECTROCHIMICA ACTA, 1962, 18 (06) :863-865
[4]   MAGNETIC PERTURBATION OF SINGLET-TRIPLET TRANSITIONS .2. [J].
EVANS, DF .
JOURNAL OF THE CHEMICAL SOCIETY, 1957, (SEP) :3885-3888
[5]   CALCULATION OF ELECTRONIC SPECTRA OF AZA-BENZENES AND AZA-NAPHTHALENES BY PARISER-PARR-POPLE METHOD [J].
FAVINI, G ;
VANDONI, I ;
SIMONETT.M .
THEORETICA CHIMICA ACTA, 1965, 3 (01) :45-&
[6]   INCLUSION OF NON-NEAREST NEIGHBOR BETA TERMS IN PARISER-PARR-POPLE TYPE SCMO CALCULATIONS .2. HETEROATOMIC SYSTEMS [J].
FLURRY, RL ;
STOUT, EW ;
BELL, JJ .
THEORETICA CHIMICA ACTA, 1967, 8 (03) :203-&
[7]  
Friedel R.A., 1951, ULTRAVIOLET SPECTRA
[8]   ELECTRONIC STRUCTURE AND ABSORPTION SPECTRA OF INDOLIZINES [J].
GALASSO, V ;
DEALTI, G ;
BIGOTTO, A .
THEORETICA CHIMICA ACTA, 1968, 9 (03) :222-&
[9]   CALCULATION OF N-] PI-STAR TRANSITION ENERGIES IN N-HETEROCYCLIC MOLECULES BY A ONE-ELECTRON APPROXIMATION [J].
GOODMAN, L ;
HARRELL, RW .
JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (05) :1131-1138
[10]   NEAR ULTRAVIOLET SOLUTION SPECTRA OF THE DIAZINES [J].
HALVERSON, F ;
HIRT, RC .
JOURNAL OF CHEMICAL PHYSICS, 1951, 19 (06) :711-718