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Results: 1-25/174
Authors:
RUIZSALVADOR AR
LEWIS DW
RUBAYOSONEIRA J
RODRIGUEZFUENTES G
SIERRA LR
CATLOW CRA
Citation: Ar. Ruizsalvador et al., ALUMINUM DISTRIBUTION IN LOW SI AL ZEOLITES - DEHYDRATED NA-CLINOPTILOLITE/, JOURNAL OF PHYSICAL CHEMISTRY B, 102(43), 1998, pp. 8417-8425
Authors:
CHANNON YM
CATLOW CRA
GORMAN AM
JACKSON RA
Citation: Ym. Channon et al., GRAND-CANONICAL MONTE-CARLO INVESTIGATION OF WATER-ADSORPTION IN HEULANDITE-TYPE ZEOLITES, JOURNAL OF PHYSICAL CHEMISTRY B, 102(21), 1998, pp. 4045-4048
Authors:
SASTRE G
RAJ N
CATLOW CRA
ROQUEMALHERBE R
CORMA A
Citation: G. Sastre et al., SELECTIVE DIFFUSION OF C8 AROMATICS IN A 10-MR AND 12-MR ZEOLITE - A MOLECULAR-DYNAMICS STUDY, JOURNAL OF PHYSICAL CHEMISTRY B, 102(17), 1998, pp. 3198-3209
Authors:
CHANNON YM
CATLOW CRA
JACKSON RA
OWENS SL
Citation: Ym. Channon et al., A COMPUTATIONAL INVESTIGATION INTO THE EFFECT OF EXTRA FRAMEWORK CATIONS ON THE STRUCTURAL COMPOSITION OF HEULANDITE-TYPE ZEOLITES, MICROPOROUS AND MESOPOROUS MATERIALS, 24(4-6), 1998, pp. 153-161
Authors:
CORA F
LEWIS DW
CATLOW CRA
Citation: F. Cora et al., DE-NOVO DESIGN OF MICROPOROUS TRANSITION-METAL OXIDES, Chemical communications, (18), 1998, pp. 1943-1944
Authors:
PEREIRA JCG
CATLOW CRA
PRICE GD
Citation: Jcg. Pereira et al., SILICA CONDENSATION REACTION - AN AB-INITIO STUDY, Chemical communications, (13), 1998, pp. 1387-1388
Authors:
SANKAR G
WYLES JK
JONES RH
THOMAS JM
CATLOW CRA
LEWIS DW
CLEGG W
COLES SJ
TEAT SJ
Citation: G. Sankar et al., STRUCTURE OF TEMPLATED MICROCRYSTALLINE DAF-5 (CO0.28AL0.72PO4C10H20N2) DETERMINED BY SYNCHROTRON-BASED DIFFRACTION METHODS, Chemical communications, (1), 1998, pp. 117-118
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
Authors:
CATLOW CRA
ISLAM MS
ZHANG X
Citation: Cra. Catlow et al., THE STRUCTURE AND ENERGIES OF PEROXY BIPOLARONS IN LA2CUO4, Journal of physics. Condensed matter, 10(3), 1998, pp. 49-54
Authors:
CATLOW CRA
COOMBES DS
PEREIRA JCG
Citation: Cra. Catlow et al., COMPUTER MODELING OF NUCLEATION, GROWTH, AND TEMPLATING IN HYDROTHERMAL SYNTHESIS, Chemistry of materials, 10(11), 1998, pp. 3249-3265
Authors:
WEBER WJ
EWING RC
CATLOW CRA
DELARUBIA TD
HOBBS LW
KINOSHITA C
MATZKE H
MOTTA AT
NASTASI M
SALJE EKH
VANCE ER
ZINKLE SJ
Citation: Wj. Weber et al., RADIATION EFFECTS IN CRYSTALLINE CERAMICS FOR THE IMMOBILIZATION OF HIGH-LEVEL NUCLEAR WASTE AND PLUTONIUM, Journal of materials research, 13(6), 1998, pp. 1434-1484
Authors:
WILDE PJ
CATLOW CRA
Citation: Pj. Wilde et Cra. Catlow, DEFECTS AND DIFFUSION IN PYROCHLORE STRUCTURED OXIDES, Solid state ionics, 112(3-4), 1998, pp. 173-183
Authors:
WILDE PJ
CATLOW CRA
Citation: Pj. Wilde et Cra. Catlow, MOLECULAR-DYNAMICS STUDY OF THE EFFECT OF DOPING AND DISORDER ON DIFFUSION IN GADOLINIUM ZIRCONATE, Solid state ionics, 112(3-4), 1998, pp. 185-195
Authors:
CORA F
CATLOW CRA
Citation: F. Cora et Cra. Catlow, THE IMPORTANCE OF STERIC EFFECTS IN THE INSERTION COMPOUNDS OF TRANSITION-METAL OXIDES, Solid state ionics, 112(1-2), 1998, pp. 131-135
Authors:
KONIGSTEIN M
CATLOW CRA
Citation: M. Konigstein et Cra. Catlow, AB-INITIO QUANTUM-MECHANICAL STUDY OF THE STRUCTURE AND STABILITY OF THE ALKALINE-EARTH METAL-OXIDES AND PEROXIDES, Journal of solid state chemistry (Print), 140(1), 1998, pp. 103-115
Authors:
KONIGSTEIN M
CORA F
CATLOW CRA
Citation: M. Konigstein et al., AN AB-INITIO HARTREE-FOCK STUDY OF THE ENERGIES OF MIXING OF MNO-NIO,MGO-MNO, AND CAO-MNO SOLID-SOLUTIONS, Journal of solid state chemistry (Print), 137(2), 1998, pp. 261-275
Authors:
ACKERMANN L
GALE JD
CATLOW CRA
Citation: L. Ackermann et al., INTERACTION OF METHANE WITH A [LI](0) CENTER ON MGO(100) - HF, POST-HF, AND DFT CLUSTER MODEL STUDIES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(48), 1997, pp. 10028-10034
Authors:
DAVIES AT
SANKAR G
CATLOW CRA
CLARK SM
Citation: At. Davies et al., FOLLOWING THE CRYSTALLIZATION OF MICROPOROUS SOLIDS USING EDXRD TECHNIQUES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(48), 1997, pp. 10115-10120
Authors:
BARRETT PA
SANKAR G
JONES RH
CATLOW CRA
THOMAS JM
Citation: Pa. Barrett et al., INTERACTION OF ACETONITRILE WITH COBALT-CONTAINING ALUMINOPHOSPHATES - AN X-RAY-ABSORPTION INVESTIGATION, JOURNAL OF PHYSICAL CHEMISTRY B, 101(46), 1997, pp. 9555-9562
Authors:
SINCLAIR PE
CATLOW CRA
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:
SASTRE G
LEWIS DW
CATLOW CRA
Citation: G. Sastre et al., MODELING OF SILICON SUBSTITUTION IN SAPO-5 AND SAPO-34 MOLECULAR-SIEVES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(27), 1997, pp. 5249-5262
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:
CORA F
STACHIOTTI MG
CATLOW CRA
RODRIGUEZ CO
Citation: F. Cora et al., TRANSITION-METAL OXIDE CHEMISTRY - ELECTRONIC-STRUCTURE STUDY OF WO3,REO3, AND NAWO3, JOURNAL OF PHYSICAL CHEMISTRY B, 101(20), 1997, pp. 3945-3952
Authors:
LEWIS DW
SANKAR G
WYLES JK
THOMAS JM
CATLOW CRA
WILLOCK DJ
Citation: Dw. Lewis et al., SYNTHESIS OF A SMALL-PORE MICROPOROUS MATERIAL USING A COMPUTATIONALLY DESIGNED TEMPLATE, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 36(23), 1997, pp. 2675-2677
Authors:
CORA F
CATLOW CRA
Citation: F. Cora et Cra. Catlow, SUPPORTED OXIDE OVERLAYERS - A LINK BETWEEN MACROSCOPIC AND MICROSCOPIC PROPERTIES, Journal of molecular catalysis. A, Chemical, 119(1-3), 1997, pp. 57-67