THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .3. A COMPARISON OF BENZENE, BORAZINE, AND BOROXINE

被引：63

作者：

COOPER, DL

WRIGHT, SC

GERRATT, J

HYAMS, PA

RAIMONDI, M

机构：

[1] UNIV BRISTOL,DEPT THEORET CHEM,BRISTOL BS8 1TS,AVON,ENGLAND

[2] UNIV MILAN,DIPARTIMENTO CHIM FIS & ELETTROCHIM,I-20133 MILANO,ITALY

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1989年 / 06期

关键词：

D O I：

10.1039/p29890000719

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：719 / 724

页数：6

共 19 条

[1] THE CHARACTERIZATION OF ATOMIC INTERACTIONS [J].

BADER, RFW ;

ESSEN, H .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (05) :1943-1960

[2] ELECTRONIC AND STRUCTURAL-PROPERTIES OF BORAZINE AND RELATED MOLECULES [J].

BOYD, RJ ;

CHOI, SC ;

HALE, CC .

CHEMICAL PHYSICS LETTERS, 1984, 112 (02) :136-141

[3] NU4 VIBRATION-ROTATION BANDS OF C6H6 AND C6D6 - ANALYSIS OF BANDS AND DETERMINATION OF BOND LENGTHS [J].

CABANA, A ;

BACHAND, J ;

GIGUERE, J .

CANADIAN JOURNAL OF PHYSICS, 1974, 52 (20) :1949-1955

[4] LOCALIZATION, EQUIVALENCE AND TRANSFERABILITY OF NON-ORTHOGONAL LOCALIZED MOLECULAR-ORBITALS [J].

CAO, XP ;

WANG, JZ .

CHEMICAL PHYSICS LETTERS, 1988, 146 (1-2) :41-46

[5] MOLECULAR STRUCTURE OF BOROXINE, H3B3O3, DETERMINED BY ELECTRON DIFFRACTION [J].

CHANG, CH ;

PORTER, RF ;

BAUER, SH .

INORGANIC CHEMISTRY, 1969, 8 (08) :1689-&

[6]

COOPER DL, 1989, J CHEM SOC PERK T 2, P263, DOI 10.1039/p29890000263

[7] THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .1. 6-MEMBERED RINGS [J].

COOPER, DL ;

WRIGHT, SC ;

GERRATT, J ;

RAIMONDI, M .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1989, (03) :255-261

[8] THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE [J].

COOPER, DL ;

GERRATT, J ;

RAIMONDI, M .

NATURE, 1986, 323 (6090) :699-701

[9] TOPOLOGICAL PARTITIONING OF ELECTRON-DENSITIES FROM SPIN-COUPLED WAVEFUNCTIONS [J].

COOPER, DL ;

ALLAN, NL .

CHEMICAL PHYSICS LETTERS, 1988, 150 (3-4) :287-293

[10]

COOPER DL, 1986, NATURE, P323

← 1 2 →