ESTIMATION OF ATOMIC CHARGES BY AN ELECTRONEGATIVITY EQUALIZATION PROCEDURE CALIBRATED WITH CORE BINDING-ENERGIES

被引：189

作者：

JOLLY, WL

PERRY, WB

机构：

[1] UNIV CALIF,CHEM DEPT,BERKELEY,CA 94720

[2] LAWRENCE BERKELEY LAB,INORG MAT RES DIV,BERKELEY,CA 94720

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1973年 / 95卷 / 17期

关键词：

D O I：

10.1021/ja00798a002

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5442 / 5450

页数：9

共 56 条

[1] PARTITIONING AND CHARACTERIZATION OF MOLECULAR CHARGE DISTRIBUTIONS [J].

BADER, RFW ;

BEDDALL, PM ;

CADE, PE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (13) :3095-+

[2] VIRIAL PARTITIONING OF CHARGE DISTRIBUTIONS AND PROPERTIES OF DIATOMIC HYDRIDES [J].

BADER, RFW ;

BEDDALL, PM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (02) :305-315

[3] LOCALIZED AND DELOCALIZED 1S HOLE STATES OF O2+ MOLECULAR ION [J].

BAGUS, PS ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (01) :224-&

[4]

BAGUS PS, 1965, PHYS REV A, V139, P619

[5] A MOLECULAR ORBITAL APPROACH TO ELECTRONEGATIVITY EQUALIZATION [J].

BAIRD, NC ;

SICHEL, JM ;

WHITEHEA.MA .

THEORETICA CHIMICA ACTA, 1968, 11 (01) :38-&

[6] IONIC CHARACTER [J].

BAIRD, NC ;

WHITEHEAD, MA .

THEORETICA CHIMICA ACTA, 1964, 2 (03) :259-264

[7]

BAIRD NC, 1965, THEOR CHIM ACTA, V6, P167

[8] CORRELATION OF FE(II LOW-SPIN MOSSBAUER QUADRUPOLE SPLITTINGS AND T-1(1) SPLITTING IN ELECTRONIC-SPECTRA OF IRON(II) ISOCYANINE COMPOUNDS - OXIDATION STATE OF TIN IN TIN TRICHLORIDE LIGAND [J].

BANCROFT, GM ;

BUTLER, KD .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1972, (12) :1209-&

[9] VIBRATIONAL AND PURE NUCLEAR QUADRUPOLE RESONANCE SPECTRA OF HEXAHALOMETALATES [J].

BROWN, TL ;

MCDUGLE, WG ;

KENT, LG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (12) :3645-&

[10] AN EXPERIMENTAL DETERMINATION OF ASPHERICITY OF ATOMIC CHARGE DISTRIBUTION IN OXALIC ACID DIHYDRATE [J].

COPPENS, P ;

SABINE, TM ;

DELAPLAN.RG ;

IBERS, JA .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1969, B 25 :2451-&

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