THE ELECTRONIC-STRUCTURE OF SMALL METALLIC CLUSTERS .3. ABINITIO CALCULATIONS OF THE INTERACTION OF ATOMIC-HYDROGEN WITH SMALL LI-3, LI-4, LI-5 CLUSTERS

被引：6

作者：

FANTUCCI, P ^{[1
]}

PACCHIONI, G ^{[1
]}

FERNANDEZRICO, J ^{[1
]}

机构：

[1] UNIV AUTONOMA MADRID,DEPT QUIM FIS & QUIM CUANT,MADRID 34,SPAIN

来源：

JOURNAL OF MOLECULAR CATALYSIS | 1981年 / 12卷 / 02期

关键词：

D O I：

10.1016/0304-5102(81)80011-9

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

页码：245 / 252

页数：8

共 22 条

[1] INTERACTION OF HYDROGEN, CARBON, ETHYLENE, ACETYLENE, AND ALKYL FRAGMENTS WITH IRON SURFACES - CATALYTIC-HYDROGENATION, DEHYDROGENATION, CARBON BOND BREAKAGE, AND HYDROGEN MOBILITY
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[4] MODEL STUDIES OF CHEMISORPTION . INTERACTION BETWEEN ATOMIC-HYDROGEN AND BERYLLIUM CLUSTERS
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[5] MOLECULAR ORBITAL APPROACH TO CHEMISORPTION .2. ATOMIC H, C, N, O, AND F ON GRAPHITE
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[6] CNDO MO CALCULATIONS FOR HYDROGEN-ATOMS ADSORBED ON CLUSTERS OF NICKEL ATOMS
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[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1973, (17) : 625 - 626
[7] CNDO MO CALCULATIONS FOR HYDROGEN-ATOM ADSORPTION ON NICKEL ATOM CLUSTERS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) : 3193 - 3197
[8] POTENTIAL-ENERGY SURFACES FOR INTERACTION OF ATOMIC AND DIATOMIC HYDROGEN WITH LITHIUM METAL CLUSTERS
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[J]. CHEMICAL PHYSICS, 1976, 14 (01) : 1 - 6
[9] POTENTIAL-ENERGY SURFACES FOR INTERACTION OF HYDROGEN-ATOMS WITH BERYLLIUM METAL CLUSTERS
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[J]. CHEMICAL PHYSICS, 1976, 14 (01) : 7 - 12
[10] ELECTRONIC-STRUCTURE OF SMALL METALLIC CLUSTERS .1. ABINITIO CALCULATIONS OF SMALL LITHIUM CLUSTERS, LIN, OF INCREASING NUCLEARITY (2LESS-THAN-OR-EQUAL-TO N LESS-THAN-OR-EQUAL-TO9)
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[J]. JOURNAL OF MOLECULAR CATALYSIS, 1978, 4 (05): : 337 - 348

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