Van Ra Rutger Santen

Van Ra Rutger Santen's AcademicInfluence.com Rankings

Chemistry

#2920

World Rank

#3895

Historical Rank

Physical Chemistry

#367

World Rank

#416

Historical Rank

chemistry Degrees

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Chemistry

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Van Ra Rutger Santen's Published Works

Number of citations in a given year to any of this author's works

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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