NEUTRON-DIFFRACTION AT 20-K AND ABINITIO MOLECULAR-ORBITAL STUDIES OF THE STRUCTURE OF MONOFLUOROACETAMIDE

被引：34

作者：

JEFFREY, GA

RUBLE, JR

MCMULLAN, RK

DEFREES, DJ

POPLE, JA

机构：

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

[2] CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS | 1981年 / 37卷 / OCT期

关键词：

D O I：

10.1107/S0567740881007486

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1885 / 1890

页数：6

共 15 条

[1] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
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HEHRE, WJ
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) : 939 - 947
[2] BINKLEY JS, 1980, QUANTUM CHEM PROGRAM, V13, P406
[3] CYVIN SJ, 1968, MOL VIBRATIONS MEAN
[4] DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
[5] DEFREES DJ, UNPUBLISHED
[6] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES
HARIHARA.PC
POPLE, JA
[J]. THEORETICA CHIMICA ACTA, 1973, 28 (03): : 213 - 222
[7] MOLECULAR-STRUCTURES OF GAS-PHASE POLYATOMIC-MOLECULES DETERMINED BY SPECTROSCOPIC METHODS
HARMONY, MD
LAURIE, VW
KUCZKOWSKI, RL
SCHWENDEMAN, RH
RAMSAY, DA
LOVAS, FJ
LAFFERTY, WJ
MAKI, AG
[J]. JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1979, 8 (03) : 619 - 721
[8] CRYSTAL AND MOLECULAR STRUCTURE OF MONOFLUOROACETAMIDE
HUGHES, DO
SMALL, RWH
[J]. ACTA CRYSTALLOGRAPHICA, 1962, 15 (OCT): : 933 - &
[9] NEUTRON-DIFFRACTION AT 23-K AND ABINITIO MOLECULAR-ORBITAL STUDIES OF THE MOLECULAR-STRUCTURE OF ACETAMIDE
JEFFREY, GA
RUBLE, JR
MCMULLAN, RK
DEFREES, DJ
BINKLEY, JS
POPLE, JA
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1980, 36 (OCT) : 2292 - 2299
[10] NEUTRON-DIFFRACTION AT 16-K AND ABINITIO MOLECULAR-ORBITAL STUDIES OF THE STRUCTURE OF FORMAMIDE OXIME
JEFFREY, GA
RUBLE, JR
MCMULLAN, RK
DEFREES, DJ
POPLE, JA
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1981, 37 (JUL) : 1381 - 1387

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