CONFORMATION AND ELECTRONIC-STRUCTURE OF OXALIC-ACID BY ABINITIO METHOD

被引:5
作者
AJO, D
CONDORELLI, G
FRAGALA, I
GRANOZZI, G
机构
[1] CNR,CENTRO STUDIO FIS MACROMOLEC,I-35100 PADUA,ITALY
[2] UNIV CATANIA,IST CHIM GEN,I-95125 CATANIA,ITALY
[3] UNIV PADUA,IST CHIM GEN,I-35100 PADUA,ITALY
关键词
D O I
10.1016/0022-2860(77)87017-8
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:160 / 163
页数:4
相关论文
共 13 条
[1]   REFINEMENT OF THE CRYSTAL STRUCTURE OF OXAMIDE [J].
AYERST, EM ;
DUKE, JRC .
ACTA CRYSTALLOGRAPHICA, 1954, 7 (8-9) :588-590
[2]   REFINEMENT OF CRYSTAL-STRUCTURES OF ANHYDROUS ALPHA AND BETA-OXALIC ACIDS [J].
DERISSEN, JL ;
SMIT, PH .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1974, 30 (SEP15) :2240-2242
[3]   ELECTRONIC-STRUCTURE OF DICARBONYL - GROUND-STATE OF GLYOXAL [J].
DYKSTRA, CE ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (25) :7210-7215
[4]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES [J].
HEHRE, WJ ;
DITCHFIELD, R ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2257-+
[5]  
HEHRE WJ, QUANTUM CHEMISTRY PR
[6]   MOLECULAR STRUCTURE OF OXALYL CHLORIDE . AN ELECTRON DIFFRACTION STUDY [J].
HJORTAAS, KE .
ACTA CHEMICA SCANDINAVICA, 1967, 21 (05) :1379-&
[7]  
KUCHITSU K, 1967, J MOL STRUCT, V1, P463
[8]  
MCGLYNN SP, 1972, J MOL SPECTROSC, V42, P177
[9]   PHOTOELECTRON BAND ASSIGNMENTS IN MONOCARBONYLS AND ALPHA-DICARBONYLS [J].
MEEKS, JL ;
MARIA, HJ ;
BRINT, P ;
MCGLYNN, SP .
CHEMICAL REVIEWS, 1975, 75 (05) :603-610
[10]   PHOTOELECTRON-SPECTROSCOPY OF CARBONYLS - UREA, OXAMIDE, OXALIC-ACID, AND OXAMIC ACID [J].
MEEKS, JL ;
ARNETT, JF ;
LARSON, DB ;
MCGLYNN, SP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (14) :3905-3908