SEMI-EMPIRICAL CALCULATION OF IRON OXYGEN INTERACTIONS

被引:44
作者
BLYHOLDER, G
HEAD, J
RUETTE, F
机构
关键词
D O I
10.1021/ic00134a054
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
引用
收藏
页码:1539 / 1545
页数:7
相关论文
共 45 条
[1]   IR-SPECTRA OF MATRIX-ISOLATED FEO2 - EVIDENCE FOR A CYCLIC IRON-OXYGEN COMPLEX [J].
ABRAMOWITZ, S ;
ACQUISTA, N ;
LEVIN, IW .
CHEMICAL PHYSICS LETTERS, 1977, 50 (03) :423-426
[2]   MOLECULAR-ORBITAL STUDIES OF DISSOCIATIVE CHEMISORPTION OF FIRST PERIOD DIATOMIC-MOLECULES AND ETHYLENE ON (100) W AND NI SURFACES [J].
ANDERSON, AB ;
HOFFMANN, R .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (11) :4545-4559
[3]   INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP THEORY FOR TRANSITION-METAL COMPLEXES - FE, CO AND CU CHLORIDES [J].
BACON, AD ;
ZERNER, MC .
THEORETICA CHIMICA ACTA, 1979, 53 (01) :21-54
[4]   PHOTOELECTRON-SPECTRA AND X ALPHA-CALCULATIONS OF IRON PENTACARBONYL AND ETHYLENE-IRON TETRACARBONYL [J].
BAERENDS, EJ ;
OUDSHOORN, C ;
OSKAM, A .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1975, 6 (04) :259-267
[5]  
Baetzold RG, 1976, ADV CATAL, V25, P1
[6]   LOWEST SIGMA-5+ STATE OF FEO - AB-INITIO INVESTIGATION [J].
BAGUS, PS ;
PRESTON, HJT .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (06) :2986-3002
[7]   GROUND STATE OF GASEOUS FEO [J].
BARROW, RF ;
SENIOR, M .
NATURE, 1969, 223 (5213) :1359-&
[8]   GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1302-1306
[9]   GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1307-1311
[10]   GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1294-1301