PI-BOND ANISOTROPY IN THE MOLECULAR-STRUCTURE OF THIOACETAMIDE

被引：24

作者：

JEFFREY, GA ^{[1
]}

RUBLE, JR ^{[1
]}

YATES, JH ^{[1
]}

机构：

[1] BROOKHAVEN NATL LAB,DEPT CHEM,UPTON,NY 11973

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1984年 / 106卷 / 06期

关键词：

D O I：

10.1021/ja00318a006

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1571 / 1576

页数：6

共 24 条

[1] EXTINCTION WITHIN LIMIT OF VALIDITY OF DARWIN TRANSFER EQUATIONS .3. NON-SPHERICAL CRYSTALS AND ANISOTROPY OF EXTINCTION [J].

BECKER, PJ ;

COPPENS, P .

ACTA CRYSTALLOGRAPHICA SECTION A, 1975, 31 (JUL1) :417-425

[2] 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

[3]

BUSING WR, 1962, ORFLS ORNLTM305 REP

[4]

CYVIN SJ, 1968, MOL VIBRATIONS MEAN

[5]

DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013

[6]

DEFREES DJ, 1980, J AM CHEM SOC, V102, P2513, DOI 10.1021/ja00527a602

[7] EFFECT OF ELECTRON CORRELATION ON THEORETICAL EQUILIBRIUM GEOMETRIES .2. COMPARISON OF THIRD-ORDER PERTURBATION AND CONFIGURATION-INTERACTION RESULTS WITH EXPERIMENT [J].

DEFREES, DJ ;

RAGHAVACHARI, K ;

SCHLEGEL, HB ;

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (21) :5576-5580

[8] NEUTRON-DIFFRACTION AT 15-K AND 120-K AND ABINITIO MOLECULAR-ORBITAL STUDIES OF THE MOLECULAR-STRUCTURE OF 1,2,4-TRIAZOLE [J].

JEFFREY, GA ;

RUBLE, JR ;

YATES, JH .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1983, 39 (JUN) :388-394

[9] 2,3-DIMETHYL-2,3-BUTANEDIOL (PINACOL) [J].

JEFFREY, GA ;

ROBBINS, A .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1978, 34 (DEC) :3817-3820

[10] NEUTRON-DIFFRACTION AT 20-K AND ABINITIO MOLECULAR-ORBITAL STUDIES OF THE STRUCTURE OF MONOFLUOROACETAMIDE [J].

JEFFREY, GA ;

RUBLE, JR ;

MCMULLAN, RK ;

DEFREES, DJ ;

POPLE, JA .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1981, 37 (OCT) :1885-1890

← 1 2 3 →