CORRELATION OF CORE BINDING-ENERGIES BY A POTENTIAL MODEL BASED ON HALF-IONIZED CORES AND A NEW METHOD FOR CALCULATING ATOMIC CHARGES

被引：8

作者：

JOLLY, WL

机构：

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

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

来源：

FARADAY DISCUSSIONS | 1972年 / 54卷

关键词：

D O I：

10.1039/dc9725400013

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：13 / 20

页数：8

共 26 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] SELF-CONSISTENT-FIELD WAVE FUNCTIONS FOR HOLE STATES OF SOME NE-LIKE AND AR-LIKE IONS [J].

BAGUS, PS .

PHYSICAL REVIEW, 1965, 139 (3A) :A619-&

[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] INTERPRETATION OF CORE BINDING SHIFTS FOR HALOGENATED METHANES [J].

CLARK, DT ;

ADAMS, DB .

NATURE-PHYSICAL SCIENCE, 1971, 234 (48) :95-+

[5]

DAVIS DG, UNPUBLISHED DATA

[6] COMPARISON OF CORE-LEVEL BINDING ENERGY SHIFTS IN MOLECULES WITH PREDICTIONS BASED ON KOOPMANS THEOREM [J].

DAVIS, DW ;

HOLLANDER, JM ;

SHIRLEY, DA ;

THOMAS, TD .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (06) :3295-+

[7]

DAVIS DW, 1972, ELECTRON SPECTROSCOP

[8]

DAVIS DW, UNPUBLISHED CALCULAT

[9]

FINN P, 1971, INORG CHEM, V10, P378

[10] CHEMICAL-SHIFTS IN BORON IS BINDING-ENERGIES OF SOME GASEOUS COMPOUNDS [J].

FINN, P ;

JOLLY, WL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (05) :1540-&

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