CORRELATION-EFFECTS AND THE BONDING IN MO2 AND CR-2

被引:39
作者
ATHA, PM
HILLIER, IH
机构
关键词
D O I
10.1080/00268978200100231
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:285 / 293
页数:9
相关论文
共 46 条
[1]   STRUCTURES, BINDING-ENERGIES, AND CHARGE-DISTRIBUTIONS FOR 2 TO 6 ATOM TI, CR, FE, AND NI CLUSTERS AND THEIR RELATIONSHIP TO NUCLEATION AND CLUSTER CATALYSIS [J].
ANDERSON, AB .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (10) :4046-4055
[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]   THEORY OF UV SPECTRA FOR NI2 AND NI3 AND HYPOTHESIS FOR ARGON MATRIX FREQUENCY-SHIFTS FOR NI ATOMS [J].
ANDERSON, AB .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (11) :5108-5111
[4]   ELECTRON CORRELATION AND THE NATURE OF THE SEXTUPLE BOND IN THE DIMOLYBDENUM MOLECULE [J].
ATHA, PM ;
HILLIER, IH ;
GUEST, MF .
CHEMICAL PHYSICS LETTERS, 1980, 75 (01) :84-86
[5]   MOLECULAR-ORBITAL DESCRIPTION OF CATALYSIS BY METAL CLUSTERS [J].
BAETZOLD, RC .
JOURNAL OF CATALYSIS, 1973, 29 (01) :129-137
[6]   ELECTRONIC PROPERTIES OF METAL CLUSTERS [J].
BAETZOLD, RC ;
MACK, RE .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) :1513-1520
[7]   CALCULATED PROPERTIES OF METAL AGGREGATES .1. DIATOMIC MOLECULES [J].
BAETZOLD, RC .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (09) :4355-&
[8]   MOLECULAR-ORBITAL DESCRIPTION OF SILVER CLUSTERS - ELECTRONIC-STRUCTURE [J].
BAETZOLD, RC .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (02) :555-561
[9]   ELECTRONIC-ENERGY LEVEL STRUCTURE CALCULATIONS OF CHEMISORBED CO ON NI (100) [J].
BATRA, IP ;
ROBAUX, O .
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY, 1975, 12 (01) :242-245
[10]   CNDO MO CALCULATIONS FOR HYDROGEN-ATOM ADSORPTION ON NICKEL ATOM CLUSTERS [J].
BLYHOLDER, G .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) :3193-3197