Van Ra Rutger Santen
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Van Ra Rutger Santenchemistry Degrees
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(Suggest an Edit or Addition)Van Ra Rutger Santen's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Reactivity Theory of Zeolitic Broensted Acidic Sites (1995) (424)
- The mechanism of ethylene epoxidation (1986) (402)
- The Relation between Morphology and Hydrotreating Activity for Supported MoS2 Particles (2001) (339)
- Role of Crystalline Defects in Electrocatalysis: Mechanism and Kinetics of CO Adlayer Oxidation on Stepped Platinum Electrodes (2002) (330)
- The role of adsorbates in the electrochemical oxidation of ammonia on noble and transition metal electrodes (2001) (251)
- The Ostwald step rule (1984) (248)
- Electrocatalytic reduction of NO3− on palladium/copper electrodes (2000) (217)
- Cooxidation on stepped Pt[n(111)×(111)] electrodes (2000) (217)
- Introduction of Zn, Ga, and Fe into HZSM-5 Cavities by Sublimation: Identification of Acid Sites (1999) (207)
- Hydrocarbon formation from methane by a low-temperature two-step reaction sequence (1992) (192)
- Role of crystalline defects in electrocatalysis: CO adsorption and oxidation on stepped platinum electrodes as studied by in situ infrared spectroscopy (2002) (190)
- CD3CN as a Probe of Lewis and Bronsted Acidity of Zeolites (1993) (184)
- Active Sites in Fe/MFI Catalysts for NOx Reduction and Oscillating N2O Decomposition (2000) (184)
- Effect of high-temperature treatment on Fe/ZSM-5 prepared by chemical vapor deposition of FeCl3: I. Physicochemical characterization (2004) (175)
- In situ Observation of Nucleation and Crystal Growth in Zeolite Synthesis. A Small-Angle X-ray Scattering Investigation on Si-TPA-MFI (1999) (173)
- The mechanism of dimethyl ether formation from methanol catalyzed by zeolitic protons (1996) (172)
- Monte Carlo simulations of a simple model for the electrocatalytic CO oxidation on platinum (1998) (159)
- Mechanism and kinetics of the electrochemical CO adlayer oxidation on Pt(111) (2002) (151)
- Carbon monoxide dissociation on planar and stepped Ru(0001) surfaces (2003) (151)
- Influence of particle size on the activity and stability in steam methane reforming of supported Rh nanoparticles (2011) (146)
- Mechanisms of Hydrocarbon Conversion in Zeolites: A Quantum Mechanical Study (1997) (142)
- A DFT Study of Transition States for C−H Activation on the Ru(0001) Surface† (2000) (137)
- Low temperature selective oxidation of ammonia to nitrogen on silver-based catalysts (2003) (134)
- Theoretical Study of the Mechanism of Surface Methoxy and Dimethyl Ether Formation from Methanol Catalyzed by Zeolitic Protons (1997) (133)
- Characterization and reactivity of Ga+ and GaO+ cations in zeolite ZSM-5 (2006) (132)
- Zeolites versus Aluminosilicate Clusters: The Validity of a Local Description (1991) (129)
- A theory of surface enrichment in ordered alloys (1974) (129)
- Lattice gas model for CO electrooxidation on Pt-Ru bimetallic surfaces (1999) (129)
- Selective oxidation of benzene to phenol with nitrous oxide over MFI zeolites : 1. On the role of iron and aluminium (2005) (127)
- Activation of C-H and C-C Bonds by an Acidic Zeolite: A Density Functional Study (1996) (127)
- Homogeneous versus Heterogeneous Zeolite Nucleation (1995) (123)
- Theoretical study of C-C bond formation in the methanol to gasoline process (1997) (122)
- Density functional theory calculations of the activation of methanol by a Bronsted zeolitic proton (1995) (119)
- Ethylene epoxidation on silver(110): the role of subsurface oxygen (1989) (118)
- Selective Low Temperature NH3 Oxidation to N2 on Copper-Based Catalysts (1999) (118)
- Diatom silicon biomineralization as an inspirational source of new approaches to silica production (1999) (115)
- Extraframework Fe-Al-O species occluded in MFI zeolite as the active species in the oxidation of benzene to phenol with nitrous oxide (2003) (115)
- Chemistry of N2O decomposition on active sites with different nature : Effect of high-temperature treatment of Fe/ZSM-5 (2006) (114)
- Mechanistic study on the electrocatalytic reduction of nitric oxide on transition-metal electrodes (2001) (114)
- Methane activation and dehydrogenation on nickel and cobalt : a computational study (1995) (113)
- NH4+ in zeolites : coordination and solvation effects (1993) (113)
- Mechanisms for Chain Growth in Fischer–Tropsch Synthesis over Ru(0001) (2002) (111)
- Ammonia activation on platinum {1 1 1}: A density functional theory study (2006) (111)
- Theoretical determination of proton affinity differences in zeolites (1993) (105)
- The relation between zeolite framework structure and vibrational spectra (1992) (103)
- The effect of support interaction on the sulfidability of Al2O3- and TiO2-supported CoW and NiW hydrodesulfurization catalysts (2001) (100)
- DFT calculations on N2O decomposition by binuclear Fe complexes in Fe/ZSM-5 (2001) (100)
- Quantumchemical study of the isobutane cracking on zeolites (1996) (100)
- Effect of high-temperature treatment on Fe/ZSM-5 prepared by chemical vapor deposition of FeCl3: II. Nitrous oxide decomposition, selective oxidation of benzene to phenol, and selective reduction of nitric oxide by isobutane (2004) (99)
- First-principles-based microkinetics simulations of synthesis gas conversion on a stepped rhodium surface (2015) (95)
- A DEMS and cyclic voltammetry study of NH3 oxidation on platinized platinum (1998) (93)
- Reactivity of oxygen adsorbed on silver powder in the epoxidation of ethylene (1981) (88)
- Quantum-chemical studies of alkene chemisorption in chabazite: A comparison of cluster and embedded-cluster models (1998) (88)
- Low-temperature coupling of methane (1996) (86)
- Kinetics of Hydro-isomerization ofn-Hexane over Platinum Containing Zeolites (1997) (86)
- Water adsorption on zeolites : ab-initio interpretation of IR data (1993) (84)
- Cracking of n-heptane over Bronsted acid sites and Lewis acid Ga sites in ZSM-5 zeolite (2008) (84)
- An ab-initio study of D/H exchange between CD4 and the H-forms of zeolites FAU and MFI (1995) (83)
- Why silver is the unique catalyst for ethylene epoxidation (2011) (82)
- Periodic trends in hydrotreating catalysis: Thiophene hydrodesulfurization over carbon-supported 4d transition metal sulfides (2000) (81)
- Surface composition of binary alloys (1979) (80)
- Dehydrogenation of light alkanes over isolated gallyl ions in Ga/ZSM-5 zeolites (2007) (79)
- Electronic structure calculations and dynamics of methane activation on nickel and cobalt (1994) (75)
- DRIFTS study of the chemical state of modifying gallium ions in reduced Ga/ZSM-5 prepared by impregnation I. Observation of gallium hydrides and application of CO adsorption as a molecular probe for reduced gallium ions (2004) (75)
- Activation of small alkanes on Ga-exchanged zeolites: A quantum-chemical study of ethane dehydrogenation (2000) (75)
- Nature and location of cationic lanthanum species in high alumina containing faujasite type zeolites (2011) (74)
- Half-sandwich titanium complexes stabilized by a novel silsesquioxane ligand; Soluble model systems for silica-grafted olefin polymerization catalysts (1998) (74)
- The nature of chemisorbates formed from ammonia on gold and palladium electrodes as discerned from surface-enhanced Raman spectroscopy (2001) (73)
- (A,B,C) triplet of infrared OH bands of zeolitic H-complexes (1995) (73)
- Density functional theory calculations of the transition states for hydrogen exchange and dehydrogenation of methane by a Brönsted zeolitic proton (1994) (73)
- Selective oxidation of benzene to phenol with nitrous oxide over MFI zeolites: 2. On the effect of the iron and aluminum content and the preparation route (2005) (73)
- The effect of the cooling atmosphere in the preparation of flame-annealed Pt(111) electrodes on CO adlayer oxidation (2000) (72)
- In Situ Investigation of Si-TPA-MFI Crystallization Using (Ultra-) Small- and Wide-Angle X-ray Scattering (1997) (72)
- Theory of surface enrichment in disordered monophasic binary alloys. Numerical computations for Ag-Au alloys (1974) (71)
- Mechanistic study of the nitric oxide reduction on a polycrystalline platinum electrode (2001) (71)
- Bridging the pressure and material gap in the catalytic ammonia oxidation : structural and catalytic properties of different platinum catalysts (2005) (70)
- The importance of transient states at higher coverages in catalytic reactions (2000) (67)
- Monte Carlo simulations of a surface reaction model showing spatio-temporal pattern formations and oscillations (1998) (67)
- Concentration and Chainlength Dependence of the Diffusivity of Alkanes in Zeolites Studied with MD Simulations (2000) (67)
- Influence of zeolite acidity on thiophene hydrodesulfurization activity (1994) (66)
- Ammonia dissociation on Pt{100} Pt{111}, and Pt{211}: A comparative density functional theory study (2007) (66)
- Quantum-chemistry of zeolite acidity (1997) (64)
- Kinetics and Mechanism of Thiophene Hydrodesulfurization over Carbon-Supported Transition Metal Sulfides (1996) (63)
- Lattice dynamics of zeolitic silica polymorphs (1990) (62)
- ETHYLENE POLYMERIZATION WITH DIMERIC ZIRCONIUM AND HAFNIUM SILSESQUIOXANE COMPLEXES (1998) (62)
- NH3 oxidation to nitrogen and water at low temperatures using supported transition metal catalysts (2000) (62)
- A DFT Study of CHx Chemisorption and Transition States for C−H Activation on the Ru(112̄0) Surface (2002) (61)
- Cracking of Hydrocarbons on Zeolite Catalysts: Density Functional and Hartree−Fock Calculations on the Mechanism of the β-Scission Reaction (1998) (60)
- High-temperature FeS-FeS2 solid-state transitions: reactions of solid mackinawite with gaseous H2S (2008) (60)
- DRIFTS study of the nature and chemical reactivity of gallium ions in Ga/ZSM-5: II. Oxidation of reduced Ga species in ZSM-5 by nitrous oxide or water (2005) (60)
- Coordination of carbon monoxide to transition-metal surfaces (1987) (57)
- A Periodic Structure Density Functional Theory Study of Propylene Chemisorption in Acidic Chabazite: Effect of Zeolite Structure Relaxation (2002) (55)
- Development of deep hydrodesulfurization catalysts I. CoMo and NiMo catalysts tested with (substituted) dibenzothiophene (1999) (55)
- Adsorption and coadsorption of CO and H on ruthenium surfaces (2003) (55)
- Interaction of ammonia with a zeolitic proton: ab initio quantum-chemical cluster calculations (1992) (54)
- Density Functional Study of Ethylene Adsorption on Palladium Clusters (1996) (53)
- Determination of Surface Coverage of Catalysts: Temperature Programmed Experiments on Platinum and Iridium Sponge Catalysts after Low Temperature Ammonia Oxidation (1999) (53)
- Surface enrichment in Cu3Au and Au3Cu alloys (1975) (51)
- Dissociation of CO on Rh surfaces (1990) (50)
- An in situ Fourier transform infrared studyof zeolitic vibrations: Dehydration, deammoniation, and reammoniation of ion-exchanged Y zeolites (1993) (50)
- Catalytic activity of nickel sulfide catalysts supported on Al-pillared montmorillonite for thiophene hydrodesulfurization (1993) (49)
- Low temperature oxidation of ammonia to nitrogen in liquid phase (1999) (49)
- Atomic and Molecular Oxygen as Chemical Precursors in the Oxidation of Ammonia by Copper (1994) (47)
- Surface enrichment in AgAu alloys (1976) (46)
- Adsorption and Diffusion of n-Hexane/2-Methylpentane Mixtures in Zeolite Silicalite: Experiments and Modeling (2001) (46)
- Surface functionalization of SBA-15-ordered mesoporous silicas: Oxidation of benzene to phenol by nitrous oxide (2008) (46)
- Theory of Brønsted Acidity in Zeolites (1994) (46)
- Intermediates in the formation of graphitic carbon on a flat FCC-Co(111) surface (2008) (46)
- Catalytic isomerization of 2-pentene in H-ZSM-22—A DFT investigation (2003) (43)
- Molecular orbital studies of the adsorption of CH3, CH2, and ch on Rh(111) and Ni(111) surfaces (1991) (43)
- Adsorption energies of NH3 and NH+4 in zeolites corrected for the long‐range electrostatic potential of the crystal (1994) (43)
- Hartree-Fock-Slater calculations on cation-induced changes in the adsorption of carbon monoxide on iridium tetrameric clusters (1990) (42)
- The hydrothermal synthesis of silicalite - an in situ small-angle neutron scattering study (1994) (42)
- Comparative quantum chemical study of stabilization energies of Zn 2+ ions in different zeolite structures (2001) (41)
- Theoretical investigation of the insertion of nickel in the CH bond of CH4. Electronic structure calculations and dynamics (1993) (41)
- Hydrogen–Deuterium Equilibration over Transition Metal Sulfide Catalysts: On the Synergetic Effect in CoMo Catalysts (1999) (41)
- Fourier transform infrared and inelastic neutron scattering study of HY zeolites (1992) (41)
- Conversion of surface carbidic to subsurface carbon on cobalt (0001): a theoretical study (1990) (40)
- The Molecular Basis of Zeolite Catalysis:A Review of Theoretical Simulations (1998) (40)
- Density-Functional and Hartree-Fock Calculations on the Cyclopropane Ring Intermediates Involved in the Zeolite-Catalyzed Skeletal Isomerization of Hydrocarbons and in the Carbon-Isotope Scrambling in 2-Propyl Cation (1997) (39)
- An attempt to predict the optimum zeolite-based catalyst for selective cracking of naphtha-range hydrocarbons to light olefins (2002) (39)
- CO Dissociation on the Ru(1121) Surface (2008) (38)
- H2 chemisorption on Ir4 clusters: A HFS-LCAO study (1990) (38)
- Carbon-induced surface transformations of cobalt (2015) (38)
- A theoretical study of the solid acid catalyzed desulfurization of thiophene (1999) (38)
- Simultaneous monitoring of amorphous and crystalline phases in silicalite precursor gels. An in situ hydrothermal and time-resolved small- and wide-angle x-ray scattering study (1994) (37)
- On the sulfur tolerance of supported Ni(Co)Mo sulfide hydrotreating catalysts (2003) (37)
- Commensurate Freezing of n‐Alkanes in Silicalite (1995) (36)
- Electronic structure calculations and dynamics of the chemisorption of methane on a Ni(111) surface (1993) (35)
- Intermediate Species and Reaction Pathways for the Oxidation of Ammonia on Powdered Catalysts (2001) (35)
- Density functional study of acetylene and ethylene adsorption on Ni(111) (1997) (35)
- Pulse-technique analysis of the kinetics of the Fischer-Tropsch reaction (1977) (34)
- Theoretical study of the adsorption of the atomic oxygen on the Cu (110) surface (1998) (34)
- Non-localized charge compensation in zeolites : A periodic DFT study of cationic gallium-oxide clusters in mordenite (2008) (34)
- Ab initio density-functional theory study of NHx dehydrogenation and reverse reactions on the Rh(1111) surface (2006) (33)
- Quantum chemistry of the Fischer-Tropsch reaction catalysed by a stepped ruthenium surface (2014) (33)
- Homologation of olefins with methane on transition metals (1992) (33)
- Microkinetics modeling of the hydroisomerization of n-hexane (1997) (32)
- Methyl Aluminosilsesquioxanes, Models for Lewis Acidic Silica-Grafted Methyl Aluminum Species (2001) (32)
- Reactivity of CO on vanadium-promoted rhodium catalysts as studied with transient techniques (1992) (32)
- A vibrational study of the OH and OD bending modes of the Brönsted acid sites in zeolites (1994) (32)
- Activation of ammonia dissociation by oxygen on platinum sponge studied with positron emission profiling (2003) (31)
- On the temperature dependence of the Arrhenius activation energy for hydroisomerization catalyzed by Pt/mordenite (1997) (31)
- Relative stabilities of zeolitic aluminosilicates (1988) (31)
- The chemical nature of atomic oxygen adsorbed on Rh(111) and Pt(111): a density functional study (1997) (31)
- The intrinsic kinetics of n-hexane hydroisomerization catalyzed by platinum-loaded solid-acid catalysts (2002) (30)
- Possible molecular structure of promoted Lewis acidity sites in ZnZSM-5 (2004) (30)
- Transition states for NO and CO dissociation on Cu(100) and Cu(111) surfaces (1994) (30)
- Chemisorption theory of ammonia on copper (1992) (30)
- The effect of hydrogen partial pressure on methylcyclopentane ring opening (1995) (29)
- Density functional theory studies of the hydrogenation properties of Mg and Ti (2009) (29)
- Isothermal oscillations during N2O decomposition over Fe/ZSM-5: effect of H2O vapor☆ (2000) (29)
- Volume fraction dependence and reorganization in cluster–cluster aggregation processes (1995) (29)
- Effects of single-file diffusion on the kinetics of hydroisomerization catalyzed by Pt/H-mordenite (2001) (29)
- The role of interfacial energy in zeolite synthesis (1986) (29)
- Ab-Initio Embedded Cluster Study of the Adsorption of NH3 and NH4+ in Chabazite (1995) (28)
- Surface composition of some selected group VIII/Au and group VIII/Sn alloys☆ (1979) (28)
- Transient response study of CO insertion into CH, surface intermediates on a vanadium-promoted rhodium catalyst (1992) (28)
- Fluorite transition metal hydride induced destabilization of the MgH2 system in MgH2/ TMH2 multilayers (TM=Sc, Ti, V, Cr, Y, Zr, Nb, La, Hf) (2010) (28)
- Pyrolysis of methane and the role of surface area (1989) (28)
- Magnetic field dependent biradical CIDNP as a tool for the study of conformations of polymethylene chains (1977) (26)
- Tracer-exchange experiments with positron emission profiling: diffusion in zeolites (2000) (26)
- Hydrotalcites: relation between structural features, basicity and activity in the Wittig reaction (2001) (26)
- Interaction of water with hydroxyl-groups in h-mordenite - a neutron inelastic-scattering study (1992) (26)
- Modeling of structure and vibrational spectra of AIPO4-5 and its silica analog SSZ-24 (1992) (25)
- Characterization of the microporosity of chromia- and titania-pillared montmorillonites differing in pillar density. I. Adsorption of nitrogen (2000) (25)
- Reactivity of diatomic molecules on Cu(100) (1998) (25)
- A DFT study of methanol adsorption in 8T rings of chabazite (2001) (24)
- On the hydroisomerization activity of nickel-substituted mica montmorillonite (1984) (23)
- History of catalysis (1999) (23)
- Nanostructures of Mg0.65Ti0.35Dx studied with X-ray diffraction, neutron diffraction and magic-angle-spinning 2H NMR spectroscopy (2010) (23)
- 'Magic' island formation of CO coadsorbed with H on Ru(0001) (2002) (23)
- PEG-Mediated Silica Pore Formation Monitored in Situ by USAXS and SAXS: Systems with Properties Resembling Diatomaceous Silica (2002) (22)
- The study of NO adsorbate layers on platinized platinum in the liquid phase with cyclic voltammetry, DEMS and FTIRS (1996) (22)
- Zeolite Y-Supported Cobalt Sulfide Hydrotreating Catalysts: III. Prevention of Protolysis and the Effect of Protons on the HDS Activity (2000) (22)
- Computation of the Infrared Spectrum of an Acidic Zeolite Proton Interacting with Acetonitrile (1996) (22)
- Reactivity of CO on stepped and non-stepped surfaces of transition metals (1989) (22)
- First-principles predictions of potential hydrogen storage materials : nanosized Ti(core)/Mg(shell) hydrides (2011) (22)
- CO chemisorption on cobalt clusters : choosing clusters for theoretical analysis of surface/adsorbate interactions (1994) (21)
- Diffusion- and reaction-limited aggregation of aqueous silicate solutions (1991) (21)
- Theoretical aspects of heterogeneous catalysis (1987) (21)
- Proton transfer in zeolites: A comparison between cluster and crystal calculations (1994) (21)
- Dissociation of ammonia on a copper surface and the effect of oxygen coadsorption: a quantum-chemical study (1993) (21)
- Density-functional theory study of NHx oxidation and reverse reactions on the Rh(111) surface (2007) (20)
- Active Sites for N2 Dissociation on Ruthenium (2008) (20)
- Spin design of iron complexes on Fe-ZSM-5 zeolites (2005) (20)
- Theory of chemisorption of hydrogen on transition metals and their alloys (1975) (19)
- Adsorption of linear alkanes in the alpha-Cages and gamma-Cages of H-ZK-5 and K-ZK-5 (1999) (19)
- Theoretical investigation of CH4 decomposition on Ni: electronic structure calculations and dynamics (1993) (19)
- Adsorption and dissociation of CO on Ni(111) and stepped Ni(111); An extended huckel molecular orbital investigation (1990) (18)
- Density functional theory study of NO on the Rh(1 0 0) surface (2008) (17)
- Computational advances in catalyst modelling. (1990) (17)
- NO structures adsorbed on Rh(111) : theoretical approach to high-coverage STM images (2006) (17)
- Chemical‐bonding aspects of heterogeneous catalysis. I. Chemisorption by metals and alloys (1982) (17)
- Synthesis and structural characterisation of platinum silasesquioxane complexes (1998) (17)
- Density functional study of the palladium acetate catalyzed Wacker reaction in acetic acid (1999) (17)
- Molybdenum-sulfide particles inside NaY zeolite as a hydrotreating catalyst prepared by adsorption of Mo(CO)6 (2000) (17)
- Quantum chemical concepts in heterogeneous catalysis (1989) (16)
- Symmetry rules in chemisorption (1988) (16)
- Silsesquioxane-bonded zirconocene complexes; soluble models for silica-tethered olefin polymerization catalysts. (2003) (16)
- Siting and mobility of deuterium absorbed in co-sputtered Mg0.65Ti0.35: A MAS 2H NMR study (2011) (16)
- Dynamics of infrared photodissociation of methanol clusters in zeolites and in solution (1996) (16)
- Hartree-fock-slater linear combination of atomic orbital calculations of the valence electron-distribution in neutral and charged IR clusters (1989) (15)
- The effect of sulfidation on the Ni distribution in Ni/USY zeolites (1997) (15)
- Introduction to Zeolite Theory and Modelling (1991) (15)
- Aggregation, gelation and aging in silica (1994) (15)
- Dynamical studies of zeolitic protons and adsorbates by picosecond infrared spectroscopy (1998) (14)
- Low-temperature ammonia oxidation on platinum sponge studied with positron emission profiling (2004) (14)
- Electronic structure calculations and dynamics of CC coupling on nickel and cobalt (1995) (14)
- Cluster-cluster aggregation and calculated SAXS patterns: application to concentration dependence of fractal parameters (1994) (13)
- Ab initio approach to the development of interatomic potentials for the shell model of silica polymorphs (1994) (13)
- Dynamic Monte Carlo simulations of oscillatory heterogeneous catalytic reactions (1999) (13)
- Catalysis: Closing the molecular and macroscopic sciences gap (1995) (13)
- Infrared spectroscopic study of the bending modes of the Brønsted acidic sites in deuterated zeolites (1993) (13)
- Bridge-bonded adsorbates on fcc(100) and fcc(111) surfaces : A kinetic Monte Carlo study (2006) (13)
- On Shustorovich's bond-order conservation method as applied to chemisorption (2010) (13)
- Chemical basis of metal catalyst promotion (1991) (13)
- Catalysis in perspective : historic review (2012) (13)
- Aggregation and aging in silica gel (1995) (12)
- Magnetic, bonding and structural behavior of Ru12 and Ru13 clusters: Is Ru12 magic? (2010) (12)
- Quantum-chemical study of hydride transfer in catalytic transformation of paraffins on zeolites (1997) (12)
- Synthesis and characterization of some heterometal-substituted ammonium gallophosphates (1999) (12)
- Production of chemically pure gaseous [13N]NH3 pulses for PEP studies using a modified DeVarda reduction. (2002) (12)
- The stability and vibrational spectra of three-ring containing zeolitic silica polymorphs (1992) (12)
- A systematic study of the ancillary effect of different molecules on the acetonitrile hydrolysis (2000) (11)
- Model calculations of chemisorption on transition metal clusters (1977) (11)
- The Relative Stability of Zeolite Frameworks (1988) (11)
- Preparation, characterization and catalytic activity of non- hydrothermally synthesized saponite-like materials (2002) (11)
- Studies to the functioning of automotive exhaust catalysts using in-situ positron emission tomography (1991) (11)
- On the theory of resonant scattering (1972) (10)
- Some Aspects of the Preparation and Catalytic Activity of Chromia Pillared Montmorillonite (1994) (10)
- Molecular motion of ferrocene in a Faujasite-type zeolite : a quasielastic neutron scattering study (2000) (10)
- The IR transmission windows of hydrogen bonded complexes in zeolites: A new interpretation of IR data of acetonitrile and water adsorption on zeolitic Broensted sites (1994) (10)
- Preface: Advances and applications of quantum-chemistry and molecular simulation to heterogeneous catalysis (1999) (10)
- The oxidation of ammonia by copper (1993) (10)
- Analysis of the Jortner-Stepanov theory of radiationless transitions in organic molecules (1972) (10)
- Configurational-Bias Monte Carlo (CB-MC) calculations of n-alkane sorption in zeolites RHO and FER (1997) (10)
- An X-ray Absorption Fine Structure Study of the Sulfidation Behavior of CoNaY Prepared by Ion Exchange: The Influence of Physisorbed Water and Cobalt Loading (1998) (10)
- Modeling of AlPO4-8, VPI-5, and related structures (1992) (10)
- Modification of Brønsted acidity of zeolites by Ga+, GaO+ and AlO+: comparison for alkane activation (2007) (10)
- Hydrocarbon Formation from Methane by a Low‐Temperature Two‐Step Reaction Sequence (1993) (9)
- On Lattice Dynamics, Stability and Acidity of Zeolites (1990) (9)
- Production of 11C-labelled n-hexane for use in positron emission imaging (1996) (9)
- Chemical-bonding aspects of heterogeneous catalysis II : solid acids (1982) (9)
- Influence of Aging and Dilution on the Crystallization of Silicalite-1 (1997) (9)
- Bonding of H atoms to Ir4 clusters: the effect of Mg2+ ions (1991) (9)
- Rotational Motion of Alkanes on Zeolite ZK-5 Studied from 1H−13C NMR Cross-Relaxation (2004) (9)
- Theory of zeolite catalysis (1991) (8)
- Metal catalysed alkylation of alkenes (1994) (8)
- CO adsorption and dissociation on Rh(111) (1988) (8)
- Inelastic neutron scattering study of NH4Y zeolites (1994) (8)
- Reaction routes for methane conversion on transition metals at low temperature (1993) (8)
- Comment on "entropy production and the Ostwald step rule". (1988) (8)
- Acidity in zeolite catalysis (2000) (8)
- Lattice dynamics of zeolites (1989) (7)
- Electronic structure of the extended vanadyl pyrophosphate (1 0 0) surface (2004) (7)
- Renewable catalytic technologies - a perspective (2007) (7)
- Water-promoted ammonia oxidation by a platinum amine complex in zeolite HZSM-5 catalyst (1998) (7)
- In situ study of alkane conversion on Pt-loaded acidic zeolites (2002) (7)
- Quantum-chemical study of the nonclassical carbonium ion-like transition states in isobutane cracking on zeolites (1996) (7)
- Synthesis, characterization and catalytic activity of chromia pillared clays (1995) (6)
- The adsorption of methyl on Rh10 clusters: selective C–H bond weakening (1999) (6)
- Structure and reactivity of metal ion species in high-silica zeolites (2004) (5)
- Fano coupling in perturbed solid acid hydroxyls (1994) (5)
- Structure dependence of Pt surface activated ammonia oxidation (2008) (5)
- Positron emission profiling : a study of hydrocarbon diffusivity in MFI zeolites (2007) (5)
- Localisation criterion in the Cayley tree without electron-electron interactions (1982) (5)
- A small angle X-ray scattering study on high pH silica precipitations (1997) (5)
- Nanorod Calculations on Body-Centered Cubic Iron: A Method for Estimation of Size-Dependent Surface Energies of Metal Nanocrystals (2009) (5)
- On the use of the iterative extended Hückel method and model Hamiltonians in chemisorption theory (1979) (5)
- Methanol adsorption and activation by zeolitic protons (1997) (5)
- Bonding and elementary steps in catalysis (1994) (5)
- Silica gels from aqueous silicate solutions. Combined 29Si NMR and small-angle x-ray scattering spectroscopic study (1994) (4)
- Hydrodesulfurization Activity of Zeolite Supported Nickel-and Cobalt Sulfide Catalysts (1993) (4)
- In-situ positron emission of CO oxidation (1993) (4)
- Commensurate freezing of hydrocarbons in silicalite (1997) (4)
- Computational-chemical advances in heterogeneous catalysis (1996) (4)
- The application of non-hydrothermally prepared stevensites as support for hydrodesulfurization catalysts (2002) (4)
- Cobalt–molybdenum-sulfide particles inside NaY zeolite?: A MES and EXAFS study (2002) (4)
- Epoxidation catalysis using heterogeneous catalysts (1997) (4)
- Chemical bonding in zeolites (1992) (4)
- Chemical bonding in zeolites (1992) (4)
- Molecular kinetics of heterogeneous catalytic reactions (1997) (4)
- Chemical kinetics of catalysed reactions (1993) (3)
- Alkylation and transalkylation reactions of aromatics (1999) (3)
- Lattice mechanical study of the structure of dodecasil-3C (1992) (3)
- The adsorption site of ammonia at copper surfaces (1992) (3)
- Small angle x-ray scattering on TPA-Silicalite-1 precursors in clear solutions: influence of silica source and cations. (2001) (3)
- Interatomic potentials for zeolites Derivation of an ab-initio shell model potential (1994) (3)
- Aging and Pore Formation in Silica Gels (1994) (3)
- On the relative stabilities of zeolitic silicas (1987) (3)
- Orbital interactions and chemical reactivity of metal particles and metal surfaces (1991) (3)
- Density functional calculations on cation-induced changes in the adsorption of sulphur on Ir4 clusters (1992) (3)
- Development of hydrodesulfurization catalyst using comparative model feed reactions and quantum chemical studies (2008) (2)
- The Molecular Basis of Zeolite Catalysis: A Review of Theoretical Simulations (1998) (2)
- Global Overview of Research in Catalysis (1997) (2)
- A Quasi-Elastic Neutron Scattering Study of the Ammonium Ions in CsNH4-Y Zeolite (1994) (2)
- Energy conversion : heterogeneous catalysis (2013) (2)
- The influence of hydrogen pretreatment on the structural and catalytic properties of a Pt/K-LTL catalyst (1993) (2)
- CHEMICAL-BONDING ASPECTS OF HETEROGENEOUS CATALYSIS. II. SOLID ACIDS (1982) (2)
- Modeling Catalytic Reactivity in Heterogeneous Catalysis (2009) (2)
- Chemistry and reactivity of transition metal sulfides in relation to their catalytic performance (1998) (2)
- H2−D2 exchange and migration of Ga in H-ZSM5 and H-MOR zeolites (2002) (2)
- A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites. (2001) (2)
- Quantum Chemistry of Surface Chemical Reactivity (1991) (2)
- Nucleation and growth mechanism of zeolites : a small-angle X-ray scattering study on Si-MFI (1999) (2)
- CHEMICAL-BONDING ASPECTS OF HETEROGENEOUS CATALYSIS. I. CHEMISORPTION BY METALS AND ALLOYS (1982) (2)
- Reactivity theory of zinc cation species in zeolites (2001) (2)
- Interatomic potentials for pure-silica materials (1996) (2)
- Promotion by vanadium compound of the elementary reaction steps in the synthesis gas reaction catalyzed by rhodium (1991) (1)
- Catalysis and the environment (1999) (1)
- Deactivation and regeneration of cobalt based Fischer-Tropsch synthesis catalysts (2009) (1)
- Theory of heterogeneous catalytic reactivity using the cluster approximation (1997) (1)
- Erratum to “Characterization and reactivity of Ga+ and GaO+ cations in zeolite ZSM-5” [J. Catal. 239 (2) (2006) 478–485] (2006) (1)
- Effect of single-file diffusion on the hydroisomerization of 2,2-dimethylbutane on platinum loaded H-mordenite. (2001) (1)
- The hydroisomerization activity of nickel-substituted mica montmorillonite clay (1985) (1)
- Fluorite transition metal hydride induced destabilization of the MgH 2 system in MgH 2 / TMH 2 multilayers ( TM = Sc (2010) (1)
- Small-angle scattering study of silica-gels and zeolites (1993) (1)
- In situ measurement of heterogeneous catalytic reactor phenomena using positron emission (2002) (1)
- Free-energy calculations of thermodynamic , vibrational , elastic and structural properties of alpha-quartz at variable pressures and temperatures (1996) (1)
- The role of tetraalkylammonium salts in the electro‐reduction of ketones. Part II: The reduction of acetophenone in an aprotic environment (2010) (1)
- The influence of cations on growth kinetics of silica aggregates (1990) (1)
- A DFT study of the cracking reaction of thiophene activated by zeotype catalysts: role of the basic Lewis site (2001) (1)
- An introduction to molecular heterogeneous catalysis (1997) (1)
- Structure and Reactivity of Metal Ion Species in High‐Silica Zeolites. (2005) (1)
- Metal complex containing one or more silsesquioxane ligands, silsesquioxane compound, and catalyst preparation for olefin polymerization. (1999) (1)
- Quantum chemistry of CO chemisorption and activation (1991) (1)
- The active site of promoted ethylene-epoxidation catalysts (1988) (1)
- Catalysis, quo vadis ? (1998) (1)
- Adsorption and diffusion of alkanes and their mixtures in silicalite studied with positron emission profiling technique (2001) (1)
- Structural development in silica systems (1994) (1)
- Catalysis of molecular hydrogen-molecular deuterium equilibration by the oxygen-doped silver/potassium system (1978) (1)
- Materialen, computers en chemische processen (1993) (0)
- Bio- and chemocatalysis : an initial comparison (2000) (0)
- Active sites for CO and N2 dissociation on ruthenium (2009) (0)
- The role of aging on the formation of porous silica (1995) (0)
- SPECTROSCOPY, ENERGETICS AND SITING OF NH+4 IN ZEOLITES; THEORY AND EXPERIMENT (1993) (0)
- Synergy of theory and experiment in zeolite catalysis (1998) (0)
- Calcined petroleum refining catalysts with small dispersed metal particles prepared from metal silsesquioxane catalyst precursors (2003) (0)
- Structure sensitivity and insensitivity of surface and bulk chemical reactions (2009) (0)
- Symmetric transition state analysis in computational catalysis (2009) (0)
- Transition states of NH, CH and OH bond activation (2007) (0)
- H2-D2 equilibration by the Ag-K-O2 system (1977) (0)
- Hierarchical Fe/ZSM-5 as catalyst for benzene to phenol oxidation (2010) (0)
- Experimental and computational studies of the adsorption properties of n-alkanes in Ferrierite (1999) (0)
- Combined small and wide angle X-ray scattering analysis on silica derived from living diatoms (1999) (0)
- Preparation of oligosilsesquioxanes and their use in the synthesis of incompletely-condensed silsesquioxanes and catalysts or their precursors (2002) (0)
- Dynamical probes of chemical interactions at interfaces (1997) (0)
- Effect of carbon fouling of cobalt surfaces on the reactivity of CO in Fischer-Tropsch synthesis (2012) (0)
- From 'Nature' to an adventure in single-site epoxidation catalysis (2007) (0)
- Induction of catalytisc reactivity by self-organization of binucliar Cr complex in the ionic liquid mediated dehydration of glucose (2010) (0)
- Positron Emission Tomography and Profiling (2005) (0)
- H 2-D 2 equilibration by the Ag-KO 2 system (2005) (0)
- Coordination to transition metal surfaces : a theoretical study (1985) (0)
- Positron emission profiling : the ammonia oxidation reaction as a case study (2006) (0)
- Theoretical Determination of Proton Affinity Differences in Zeolites. (1993) (0)
- Amphiphilic organosilane directed synthesis of iron and aluminum containing mesoporous silicates (2009) (0)
- Iron clusters occluded in zeolite ZSM5 micropores (2003) (0)
- Catalytic Activity of Nickel Sulfide Catalysts Supported on Al‐ Pillared Montmorillonite for Thiophene Hydrodesulfurization. (1993) (0)
- On the theory of resonant scattering : with applications to radiationless transitions in organic molecules and photoelectron spectroscopy (1971) (0)
- Perspective on "Self-consistent molecular Hartree-Flock-Slater calculations", Baerends,EJ, Ellis,de, Ros,P (1973) Chem Phys 2:41 (2000) (0)
- Use of modified layered aluminosilicates as catalysts in the production of fine chemicals (1998) (0)
- Silsesquioxane Titanium(IV) catalysts for homogeneous and heterogeneous alkene epoxidation (1998) (0)
- Homologation Reactions of Alkanes on Transition-Metal Surfaces (1995) (0)
- Water activation on Rh : DFT study on the influence of surface coordination and pre-adsorbed oxygen (2009) (0)
- AN INFRARED STUDY OF STRUCTURE RELAXATION IN MOLECULAR SIEVES (1993) (0)
- The effect of the rhodium particle size and the support on CO oxidation (2010) (0)
- Efect o oxygen coverage on ethylene epoxidation on Ag(111) surface (2010) (0)
- Hydrogen atom transfer reactions and the effects of non-redox active metal cations (2018) (0)
- Influence of lattice chemistry and structure on Bronsted acidity studied by FTIR, 'H MAS NMR and adsorption methods (1996) (0)
- Mechanistic aspects of Fischer-Tropsch catalysis (1992) (0)
- Homogeneous versus heterogeneous zeolite nucleation : a SAXS-WAXS study (1995) (0)
- Direct versus hydrogen-assisted CO dissociation on Ruthenium (2010) (0)
- Dehydration of glucose into HMF by Lewis acidic metal chlorides : development of a heterogeneous MeClxlionic liquidISBA-1S catalyst (2009) (0)
- Instability of zeolite Y supported cobalt sulfide : an adsorption study (1998) (0)
- CO formation from CH + O on planar and stepped Rh surfaces (2010) (0)
- Chemical reactivity of high-silica zeolites modified with gallium : the unexpected case of anionic oligomerization of alkenes (2009) (0)
- Interaction of Water with Hydroxyl Groups in H‐Mordenite: A Neutron Inelastic Scattering Study. (1992) (0)
- A high-resolution solid-state carbon-13 NMR investigation of occluded templates in pentasil-type zeolites : some silicon-29 solid-state NMR characteristics of ZSM-5 (1983) (0)
- Atomistic modeling of zeolitic materials (1994) (0)
- The complex paradox of Science (2012) (0)
- Engineering needs in a borderless society (2004) (0)
- Clay-activated isomerization reactions (Chapter 23) (1987) (0)
- Selective phenylacetylene hydrogenation over surfactant stabilized rhodium nanoparticles (2010) (0)
- Catalysis by well characterized materials - discussion (1989) (0)
- A pr 2 01 5 Tunable site-and orbital-selective Mott transition and quantum confinement effects in La 0 (2015) (0)
- Molecular dynamics of vesicles as chemical reactors (2005) (0)
- Molecular orbital studies of the adsorption of methyl, methylene, and methyne on rhodium(111) and nickel(111) surfaces (1991) (0)
- Vibrational Relaxation of Hydroxyls in Zeolite Y: H-Bonding, Dipole-Dipole Coupling and Accepting Modes (1994) (0)
- The oxidative ammonolysis of ethylene to acetonitrile over gamma-Al2O3 supported molybdenum catalysts (1996) (0)
- Non-localized charge compensation in high-silica zeolites (2009) (0)
- Comments on the Cluster Approach to Chemisorption (1992) (0)
- Perspective on "Self-consistent molecular Hartree-Flock- (0)
- Theoretical study of nitrile hydrolysis reaction over zeolites (1997) (0)
- Theoretical heterogeneous catalysis, limitations and challenges (2007) (0)
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