ABINITIO THEORETICAL-STUDY ON THE REACTIONS OF A HYDROGEN MOLECULE WITH SMALL PLATINUM CLUSTERS - A MODEL FOR CHEMISORPTION ON A PT SURFACE

被引：72

作者：

NAKATSUJI, H

MATSUZAKI, Y

YONEZAWA, T

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 09期

关键词：

D O I：

10.1063/1.454534

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：5759 / 5769

页数：11

共 47 条

[1]

[Anonymous], 1975, STRUCTURE METALLIC C

[2] CASSCF/CL CALCULATIONS OF ELECTRONIC STATES AND POTENTIAL-ENERGY SURFACES OF PTH2 [J].

BALASUBRAMANIAN, K .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (05) :2800-2805

[3] MOLECULAR-BEAM STUDY OF MECHANISM OF CATALYZED HYDROGEN-DEUTERIUM EXCHANGE ON PLATINUM SINGLE-CRYSTAL SURFACES [J].

BERNASEK, SL ;

SOMORJAI, GA .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) :3149-3161

[4] SINGLET AND TRIPLET ENERGY SURFACES OF NIH2 [J].

BLOMBERG, MRA ;

SIEGBAHN, PEM .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) :5682-5692

[5] THEORETICAL INVESTIGATION OF THE ADDITION OF MOLECULAR-HYDROGEN TO PD AND (H2O)2PD [J].

BRANDEMARK, UB ;

BLOMBERG, MRA ;

PETTERSSON, LGM ;

SIEGBAHN, PEM .

JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (20) :4617-4621

[6]

BROOKS BR, 1981, 481 I MOL SCI COMP C

[7] ADSORPTION OF HYDROGEN ON A PT(111) SURFACE [J].

CHRISTMANN, K ;

ERTL, G ;

PIGNET, T .

SURFACE SCIENCE, 1976, 54 (02) :365-392

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[9] SCF-MO PSEUDOPOTENTIAL STUDIES OF CHEMISORPTION - HYDROGEN + PT(111) CLUSTERS [J].

GAVEZZOTTI, A ;

TANTARDINI, GF ;

SIMONETTA, M .

CHEMICAL PHYSICS, 1984, 84 (03) :453-461

[10] FROZEN CORE AND VIRTUAL ORBITALS IN THE MC SCF THEORY [J].

HADA, M ;

YOKONO, H ;

NAKATSUJI, H .

CHEMICAL PHYSICS LETTERS, 1987, 141 (04) :339-345

← 1 2 3 4 5 →