MNDO STUDIES OF PROTON AFFINITY AS A PROBE OF ELECTRONIC-STRUCTURE .2. BORANES AND CARBORANES

被引：21

作者：

DEKOCK, RL

JASPERSE, CP

机构：

来源：

INORGANIC CHEMISTRY | 1983年 / 22卷 / 26期

关键词：

D O I：

10.1021/ic00168a005

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

页码：3843 / 3848

页数：6

共 24 条

[1] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[2] BONDING IN CLUSTERS .3. PROTONATION OF NIDO-PENTABORANE(9), NIDO-HEXABORANE(10), AND CLOSO-HEXABORATE(6)(2-) [J].

BRINT, P ;

HEALY, EF ;

SPALDING, TR ;

WHELAN, T .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1981, (12) :2515-2522

[3] EXTENDED HUCKEL MOLECULAR-ORBITAL CALCULATIONS ON DODECAHEDRAL METALLOBORANES WHICH DO NOT CONFORM TO THE POLYHEDRAL SKELETAL ELECTRON-PAIR THEORY [J].

COX, DN ;

MINGOS, DMP .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1981, (09) :1788-1797

[4] PROTON AFFINITY AND FRONTIER ORBITAL CONCEPT - PREDICTIONS AND PITFALLS [J].

DEKOCK, RL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (19) :5592-5593

[5] PROTON AFFINITY, IONIZATION-ENERGY, AND THE NATURE OF FRONTIER ORBITAL ELECTRON-DENSITY [J].

DEKOCK, RL ;

BARBACHYN, MR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (22) :6516-6519

[6]

DEKOCK RL, 1983, INORG CHEM, V22, P3834

[7] GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4907-4917

[8] GROUND-STATES OF MOLECULES .41. MNDO RESULTS FOR MOLECULES CONTAINING BORON [J].

DEWAR, MJS ;

MCKEE, ML .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (16) :5231-5241

[9] GROUND-STATES OF MOLECULES .47. MNDO STUDIES OF BORON HYDRIDES AND BORON HYDRIDE ANIONS [J].

DEWAR, MJS ;

MCKEE, ML .

INORGANIC CHEMISTRY, 1978, 17 (06) :1569-1581

[10] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907

← 1 2 3 →