MOLECULAR-ORBITAL STUDY OF MONOMERIC METAPHOSPHATE - DENSITY SURFACES OF FRONTIER ORBITALS AS A TOOL IN ASSESSING REACTIVITY

被引：42

作者：

LOEW, LM ^{[1
]}

MACARTHUR, WR ^{[1
]}

机构：

[1] SUNY BINGHAMTON,DEPT CHEM,BINGHAMTON,NY 13901

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1977年 / 99卷 / 04期

关键词：

D O I：

10.1021/ja00446a007

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1019 / 1025

页数：7

共 94 条

[71] AB-INITIO MO-SCF STUDY OF ETHYLENE EPISULFIDE, EPISULFOXIDE, AND EPISULFONE [J].

ROHMER, MM ;

ROOS, B .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (08) :2025-2030

[72] CAUSSIAN BASIS SETS FOR FIRST AND SECOND ROW ATOMS [J].

ROOS, B ;

SIEGBAHN, P .

THEORETICA CHIMICA ACTA, 1970, 17 (03) :209-&

[73] POLARIZATION FUNCTIONS FOR FIRST AND SECOND ROW ATOMS IN GAUSSIAN TYPE MO-SCF CALCULATIONS [J].

ROOS, B ;

SIEGBAHN, P .

THEORETICA CHIMICA ACTA, 1970, 17 (03) :199-&

[74] MECHANISM AND CATALYSIS OF REACTIONSOF ACYL PHOSPHATES .2. HYDROLYSIS [J].

DISABATO, G ;

JENCKS, WP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (21) :4400-+

[75]

SAMUEL D, 1959, CHEM IND-LONDON, P51

[76]

SAMUEL D, 1961, J CHEM SOC, P4231

[77] ELEMENTAL ORGANIC AMINE-IMINE COMPOUNDS .13. [BIS(TRIMETHYLSILYL)AMINO](TRIMETHYLSILYLIMINO)PHOSPHINE AND [BIS(TRIMETHYLSILYL)AMINO]BIS(TRIMETHYLSILYLIMINO)PHOSPHORANE [J].

SCHERER, OJ ;

KUHN, N .

CHEMISCHE BERICHTE-RECUEIL, 1974, 107 (06) :2123-2125

[78] TRIMETHYLSILYL(TERT-BUTYL)AMINO(TERT-BUTYL)IMINOTHIO-PHOSPHORANE - DERIVATIVE OF MONOMERIC METATHIOPHOSPHORIC ACID [J].

SCHERER, OJ ;

KUHN, N .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1974, 13 (12) :811-812

[79] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS ON SILAETHYLENE, H2SI=CH2 - THEORETICAL INFRARED-SPECTRUM [J].

SCHLEGEL, HB ;

WOLFE, S ;

MISLOW, K .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1975, (07) :246-247

[80]

SCHREIBER DE, 1975, RJ1553 IBM TECHN REP

← 1 2 3 4 5 6 7 8 9 10 →