MOLECULAR-ORBITAL THEORY FOR CATALYSIS STRUCTURES, ENERGY-LEVELS, AND REACTIONS OF ACETYLENE WITH "NI2(COD)2(RC=CR),NI2(C5H5)2(RC=CR), AND NI(111) SURFACE

被引：64

作者：

ANDERSON, AB ^{[1
]}

机构：

[1] YALE UNIV,DEPT CHEM,NEW HAVEN,CT 06520

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 04期

关键词：

D O I：

10.1021/ja00472a019

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1153 / 1159

页数：7

共 55 条

[1] MOLECULAR-ORBITAL INVESTIGATION OF CHEMISORPTION .1. HYDROGEN ON TUNGSTEN (100) SURFACE [J].

ANDERS, LW ;

HANSEN, RS ;

BARTELL, LS .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (10) :5277-5287

[2] DETERMINATION OF CHALCOGEN STRUCTURES ON NICKEL SURFACES FROM ORBITAL ENERGIES ADDED TO PAIRWISE ATOMIC REPULSIONS [J].

ANDERSON, AB .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (05) :2173-2175

[3] THEORETICAL-STUDY OF STRUCTURES AND BINDING PROPERTIES OF NICKEL TETRACARBONYL, IRON PENTACARBONYL, AND DIIRON AND DICOBALT HEXACARBONYL ACETYLENES [J].

ANDERSON, AB .

INORGANIC CHEMISTRY, 1976, 15 (11) :2598-2602

[4] DERIVATION OF EXTENDED HUCKEL METHOD WITH CORRECTIONS - ONE ELECTRON MOLECULAR-ORBITAL THEORY FOR ENERGY-LEVEL AND STRUCTURE DETERMINATIONS [J].

ANDERSON, AB .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (03) :1187-1188

[5] 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

[6] MOLECULAR-ORBITAL THEORY OF BONDING IN FEO AND CHEMISORBED OXYGEN ON FE(100) [J].

ANDERSON, AB .

PHYSICAL REVIEW B, 1977, 16 (02) :900-905

[7] 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

[8] INTERACTION OF HYDROGEN, CARBON, ETHYLENE, ACETYLENE, AND ALKYL FRAGMENTS WITH IRON SURFACES - CATALYTIC-HYDROGENATION, DEHYDROGENATION, CARBON BOND BREAKAGE, AND HYDROGEN MOBILITY [J].

ANDERSON, AB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (03) :696-707

[9] DERIVATION OF AND COMMENTS ON BONACCORSI-SCROCCO-TOMASI POTENTIALS FOR ELECTROPHILIC ADDITIONS [J].

ANDERSON, AB .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (06) :2477-2479

[10] TRANSITION-METAL CATALYSIS OF OLEFIN ISOMERIZATIONS [J].

ANDERSON, AB .

CHEMICAL PHYSICS LETTERS, 1975, 35 (04) :498-499

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