Combinatorial computational chemistry approach to the design of deNOx catalysts

[1]  Masaru Ogura,et al.  Role of zeolite structure on reduction of NOx with methane over In- and Pd-based catalysts , 1998 .

[2]  A. Chatterjee,et al.  Density functional calculation on the adsorption of nitrogen oxides and water on ion exchanged ZSM-5 , 1998 .

[3]  R. M. Fleming,et al.  Discovery of a useful thin-film dielectric using a composition-spread approach , 1998, Nature.

[4]  W. H. Weinberg,et al.  A combinatorial approach to the discovery and optimization of luminescent materials , 1997, Nature.

[5]  A. Fahmi,et al.  NO2 adsorption on ion exchanged ZSM-5: a density functional study , 1997 .

[6]  Liwu Lin,et al.  The chemical status of indium in indium impregnated HZSM-5 catalysts for the SCR of NO with CH4 , 1997 .

[7]  W. Hall,et al.  FeZSM-5: A Durable SCR Catalyst for NOxRemoval from Combustion Streams , 1997 .

[8]  K. Yogo,et al.  Promotive effect of additives to In/H-ZSM-5 catalyst for selective reduction of nitric oxide with methane in the presence of water vapor , 1996 .

[9]  P. Schultz,et al.  A Class of Cobalt Oxide Magnetoresistance Materials Discovered with Combinatorial Synthesis , 1995, Science.

[10]  Hyun Khil Shin,et al.  Selective catalytic reduction of NO by ethene in excess oxygen over platinum ion-exchanged MFI zeolites , 1995 .

[11]  Osamu Okada,et al.  Relationship between methane adsorption and selective catalytic reduction of nitrogen oxide by methane on gallium and indium ion-exchanged ZSM-5 , 1995 .

[12]  A. Miyamoto,et al.  Study of the Activity of Ga-ZSM-5 in the de-NOx Process by a Combination of Quantum Chemistry, Molecular Dynamics, and Computer Graphics Methods , 1995 .

[13]  H. Yahiro,et al.  Novel catalytic decomposition and reduction of NO , 1994 .

[14]  Y. Oka,et al.  Computer-aided design of active catalysts for the removal of nitric oxide , 1994 .

[15]  M. Misono,et al.  Catalytic reduction of nitrogen oxides by propene in the presence of oxygen over cerium ion-exchanged zeolites. II. Mechanistic study of roles of oxygen and doped metals , 1994 .

[16]  J. Armor,et al.  Effect of Water Vapor on the Selective Reduction of NO by Methane over Cobalt-Exchanged ZSM-5 , 1993 .

[17]  Enoch S. Huang,et al.  The Chemical State of Gallium in Working Alkane Dehydrocyclodimerization Catalysts. In situ Gallium K-Edge X-Ray Absorption Spectroscopy , 1993 .

[18]  J. Armor.  Catalytic reduction of nitrogen oxides with methane in the presence of excess oxygen: A review , 1992 .

[19]  K. Kawamura,et al.  Structures and Dynamics of Alkali Ion-exchanged ZSM-5 as Investigated by Molecular Dynamics and Computer Graphics. , 1991 .

[20]  J. G. Fripiat,et al.  Non-empirical quantum chemical study of the siting and pairing of aluminium in the MFI framework , 1985 .

[21]  J. Smith,et al.  Silicalite, a new hydrophobic crystalline silica molecular sieve , 1978, Nature.

[22]  Evert Jan Baerends,et al.  Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure , 1973 .

[23]  J. W. Ward.  Spectroscopic study of the surface of zeolite Y. II. Infrared spectra of structural hydroxyl groups and adsorbed water on alkali, alkaline earth, and rare earth ion-exchanged zeolites , 1968 .

[24]  L. Verlet.  Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules , 1967 .

[25]  M. Iwamoto,et al.  Highly selective reduction of no in excess oxygen through the intermediate addition of reductant between oxidation and reduction catalysts , 1998 .

[26]  A. Miyamoto,et al.  Quantum chemical investigation of reactants in selective reduction of NOx on ion exchanged ZSM-5 , 1997 .

[27]  K. Kawamura.  Interatomic Potential Models for Molecular Dynamics Simulations of Multi-component Oxides , 1992 .

[28]  J. Haile.  Molecular Dynamics Simulation , 1992 .

[29]  P. P. Ewald.  Die Berechnung optischer und elektrostatischer Gitterpotentiale , 1921 .