CLUSTER CALCULATIONS OF INTERMEDIATE STATES IN THE CATALYZED CONVERSION OF CH3OH TO CH2O ON A CU(100) SURFACE

被引：13

作者：

PAUL, J

ROSEN, A

机构：

来源：

JOURNAL OF CATALYSIS | 1983年 / 84卷 / 02期

关键词：

D O I：

10.1016/0021-9517(83)90002-7

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：288 / 296

页数：9

共 52 条

[1] CALCULATION OF DISSOCIATION-ENERGIES USING MANY-BODY PERTURBATION-THEORY [J].

ADAMS, GF ;

BENT, GD ;

PURVIS, GD ;

BARTLETT, RJ .

CHEMICAL PHYSICS LETTERS, 1981, 81 (03) :461-466

[2] FORMALDEHYDE - ELECTRONIC-STRUCTURE CALCULATIONS FOR THE S0 AND T1 STATES [J].

ADAMS, GF ;

BENT, GD ;

BARTLETT, RJ ;

PURVIS, GD .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (02) :834-842

[3] ON THE UNIMOLECULAR REACTIONS OF CH3O AND CH2OH [J].

ADAMS, GF ;

BARTLETT, RJ ;

PURVIS, GD .

CHEMICAL PHYSICS LETTERS, 1982, 87 (04) :311-314

[4] INELASTIC ELECTRON-SCATTERING FROM SURFACE VIBRATIONAL-MODES OF ADSORBATE-COVERED CU(100) [J].

ANDERSSON, S ;

PERSSON, M .

PHYSICAL REVIEW B, 1981, 24 (06) :3659-3662

[5] 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

[6] ON THE ISOMERIZATION OF THE METHOXY RADICAL - RELEVANCE TO ATMOSPHERIC CHEMISTRY AND COMBUSTION [J].

BATT, L ;

BURROWS, JP ;

ROBINSON, GN .

CHEMICAL PHYSICS LETTERS, 1981, 78 (03) :467-470

[7] XPS, UPS AND THERMAL-DESORPTION STUDIES OF ALCOHOL ADSORPTION ON CU(110) .1. METHANOL [J].

BOWKER, M ;

MADIX, RJ .

SURFACE SCIENCE, 1980, 95 (01) :190-206

[8] SYMMETRY AND SURFACE-CHEMISTRY [J].

BRADSHAW, AM .

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-FRANKFURT, 1978, 112 (01) :33-44

[9] PHOTOELECTRON-SPECTROSCOPY OF METHYL, ETHYL AND ISOPROPYL-ALCOHOL ADSORBED ON THE (110) SURFACE OF CU [J].

CARLSON, TA ;

AGRON, PA ;

THOMAS, TM ;

GRIMM, FA .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1981, 23 (01) :13-24

[10] ON THE VALIDITY OF THE X-ALPHA-METHOD IN THE COMPUTATION OF IONIZATION-POTENTIALS - A COMPARISON OF THE RESULTS FOR SMALL MOLECULES [J].

DEALTI, G ;

DECLEVA, P ;

LISINI, A .

CHEMICAL PHYSICS, 1982, 66 (03) :425-433

← 1 2 3 4 5 6 →