Authors:
SINCLAIR PE
DEVRIES A
SHERWOOD P
CATLOW CRA
VANSANTEN RA
Citation: Pe. Sinclair et al., QUANTUM-CHEMICAL STUDIES OF ALKENE CHEMISORPTION IN CHABAZITE - A COMPARISON OF CLUSTER AND EMBEDDED-CLUSTER MODELS, Journal of the Chemical Society. Faraday transactions (Print), 94(22), 1998, pp. 3401-3408
Citation: Pe. Sinclair et Cra. Catlow, GENERATION OF CARBENES DURING METHANOL CONVERSION OVER BRONSTED ACIDIC ALUMINOSILICATES - A COMPUTATIONAL STUDY, JOURNAL OF PHYSICAL CHEMISTRY B, 101(3), 1997, pp. 295-298
Authors:
SINCLAIR PE
SANKAR G
CATLOW CRA
THOMAS JM
MASCHMEYER T
Citation: Pe. Sinclair et al., COMPUTATIONAL AND EXAFS STUDY OF THE NATURE OF THE TI(IV) ACTIVE-SITES IN MESOPOROUS TITANOSILICATE CATALYSTS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(21), 1997, pp. 4232-4237
Authors:
CATLOW CRA
ACKERMANN L
BELL RG
GAY DH
HOLT S
LEWIS DW
NYGREN MA
SASTRE G
SAYLE DC
SINCLAIR PE
Citation: Cra. Catlow et al., MODELING OF STRUCTURE, SORPTION, SYNTHESIS AND REACTIVITY IN CATALYTIC-SYSTEMS, Journal of molecular catalysis. A, Chemical, 115(3), 1997, pp. 431-448
Citation: Pe. Sinclair et Cra. Catlow, ON THE FORMATION OF TITANYL (TI=O) GROUPS IN MESOPOROUS AND MICROPOROUS TITANOSILICATE CATALYSTS - A COMPUTATIONAL STUDY, Chemical communications, (19), 1997, pp. 1881-1882
Authors:
CATLOW CRA
ACKERMANN L
BELL RG
CORA F
GAY DH
NYGREN MA
PEREIRA JC
SASTRE G
SLATER B
SINCLAIR PE
Citation: Cra. Catlow et al., COMPUTER MODELING AS A TECHNIQUE IN SOLID-STATE CHEMISTRY - INTRODUCTORY LECTURE, Faraday discussions, (106), 1997, pp. 1-40
Citation: Pe. Sinclair et Cra. Catlow, DENSITY-FUNCTIONAL THEORY CALCULATIONS OF ADSORPTION AND REACTIVITY OF METHANOL AT ALUMINOSILICATE BRONSTED ACID CENTERS, Journal of the Chemical Society. Faraday transactions, 93(2), 1997, pp. 333-345
Citation: Pe. Sinclair et Cra. Catlow, COMPUTATIONAL STUDIES OF THE REACTION OF METHANOL AT ALUMINOSILICATE BRONSTED ACID SITES, Journal of the Chemical Society. Faraday transactions, 92(12), 1996, pp. 2099-2105