BICENTRIC RESCALING OF CNDO /2 THEORY - APPLICATIONS TO INORGANIC FLUORIDES

被引：7

作者：

COMPANION, AL ^{[1
]}

机构：

[1] ILLINOIS INST TECHNOL, DEPT CHEM, CHICAGO, IL 60616 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1973年 / 77卷 / 26期

关键词：

D O I：

10.1021/j100644a012

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

页码：3085 / 3088

页数：4

共 13 条

[1] MOLECULAR-ORBITAL STUDY OF BOND ENERGIES IN COMPOUNDS OF SULFUR AND FLUORINE [J].

COMPANION, AL .

THEORETICA CHIMICA ACTA, 1972, 25 (03) :268-+

[2] MOLECULAR-ORBITAL STUDY OF ATOMIZATION ENERGIES OF PNICOGEN FLUORIDE MOLECULES AND IONS [J].

COMPANION, AL ;

HSIA, YP .

JOURNAL OF MOLECULAR STRUCTURE, 1972, 14 (01) :117-+

[3] MASS SPECTROMETRIC STUDY OF PHOTOIONIZATION .12. BORON TRIFLUORIDE AND DIBORON TETRAFLUORIDE [J].

DIBELER, VH ;

LISTON, SK .

INORGANIC CHEMISTRY, 1968, 7 (09) :1742-&

[4]

DOBOSH P, CNINDO CNDO INDO MOL

[5] RAMAN-SPECTRA AND STRUCTURE OF B2F4 IN GASEOUS AND SOLID STATES [J].

DURIG, JR ;

THOMPSON, JW ;

WITT, JD ;

ODOM, JD .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) :5339-5343

[6] ENERGY PARTITIONING WITH CNDO METHOD [J].

FISCHER, H ;

KOLLMAR, H .

THEORETICA CHIMICA ACTA, 1970, 16 (03) :163-&

[7] HEAT OF CHLORINATION OF DIBORON TETRAFLUORIDE [J].

GUNN, SR ;

GREEN, LG .

JOURNAL OF PHYSICAL CHEMISTRY, 1961, 65 (01) :178-&

[8] HEAT OF FORMATION OF BF2(G) [J].

MARGRAVE, JL .

JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (06) :1209-&

[9] OXYGEN MONOFLUORIDE (OF, 2II) - HARTREE-FOCK WAVEFUNCTION, BINDING ENERGY, IONIZATION POTENTIAL, ELECTRON AFFINITY, DIPOLE AND QUADRUPOLE MOMENTS, AND SPECTROSCOPIC CONSTANTS - A COMPARISON OF THEORETICAL AND EXPERIMENTAL RESULTS [J].

OHARE, PAG ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (06) :2469-&

[10]

OHARE PAG, 1968, ANL7315 REP

← 1 2 →