CONCEPTS IN THEORETICAL HETEROGENEOUS CATALYTIC REACTIVITY

被引:245
作者
VANSANTEN, RA [1 ]
NEUROCK, M [1 ]
机构
[1] DUPONT CO INC, CENT RES & DEV, EXPTL STN, WILMINGTON, DE 19880 USA
来源
CATALYSIS REVIEWS-SCIENCE AND ENGINEERING | 1995年 / 37卷 / 04期
关键词
D O I
10.1080/01614949508006451
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
[No abstract available]
引用
收藏
页码:557 / 698
页数:142
相关论文
共 384 条
[1]  
ACKERMANN L, 1992, INT J QUANTUM CHEM, P605
[2]   REACTION PATHWAYS IN THE OXYDEHYDROGENATION OF AMMONIA AT CU(110) SURFACES [J].
AFSIN, B ;
DAVIES, PR ;
PASHUSKY, A ;
ROBERTS, MW ;
VINCENT, D .
SURFACE SCIENCE, 1993, 284 (1-2) :109-120
[3]   THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL [J].
AHLRICHS, R ;
SCHARF, P ;
EHRHARDT, C .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) :890-898
[4]  
Albright T. A., 1985, ORBITAL INTERACTIONS
[5]   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
[6]   RELAXATION IN ZNO (1010), (0001), AND (0001) SURFACES AND THE ADSORPTION OF CO [J].
ANDERSON, AB ;
NICHOLS, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (07) :1385-1388
[7]   ETHYLENE HYDROGENATION MECHANISM ON THE PT(111) SURFACE - THEORETICAL DETERMINATION [J].
ANDERSON, AB ;
CHOE, SJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (16) :6145-6149
[8]   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
[9]   TOWARD A BETTER UNDERSTANDING OF THE ATOM SUPERPOSITION AND ELECTRON DELOCALIZATION MOLECULAR-ORBITAL THEORY AND A SYSTEMATIC TEST - DIATOMIC OXIDES OF THE 1ST TRANSITION-METAL SERIES, BONDING AND TRENDS [J].
ANDERSON, AB ;
GRIMES, RW ;
HONG, SY .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (16) :4245-4250
[10]   ACTIVATION OF METHANE ON IRON, NICKEL, AND PLATINUM SURFACES - A MOLECULAR-ORBITAL STUDY [J].
ANDERSON, AB ;
MALONEY, JJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (03) :809-812