Catalysis Today

Catalysis Today, Vol.23, No.4 Entire volume, number list

ISSN: 0920-5861 (Print)

In this Issue (22 articles)

299 - 299	The Impact of Computers on Catalyst Research-and-Development - Foreword Miyamoto A, Hattori T, Misono M
301 - 303	A Short Note on the Work of Professor Yoneda,Yukio in the Application of Computer Chemistry to Studies of Catalysis Misono M
305 - 310	Prospect, Rather Than Retrospect, on the Impact of Computers in Catalytic Research-and-Development Yoneda Y
311 - 316	Quantum-Chemical Modeling of Hydrocarbon Oxidation on Vanadium-Based Catalysts Haber J, Witko M
317 - 323	Comprehensive Description of the Acidic Property of Effective Metallosilicate Catalysts by Computer-Simulation Inui T, Matsuba K, Tanaka Y
325 - 332	A Multifaceted Approach to Modeling Heterogeneous Catalysts Newsam JM, Li YS
333 - 339	Computational Study of the Highly Efficient Conversion of Methane to Methanol with Mercury(II) Catalysts Horsley JA, Vanderveken DJ, Periana RA
341 - 345	Local-Density Functional-Study on Adsorption of Cu2+ and Fe2+ on a Si(100) Surface Ishida M, Yoshida M, Takashima M, Sawara K
347 - 355	Neural-Network as a Tool for Catalyst Development Hattori T, Kito S
357 - 364	Density-Functional Study on the Reaction of Co Molecules with MgO Surfaces Kobayashi H, Salahub DR, Ito T
365 - 370	Quantum-Chemical Approach to the Interpretation of the STM Tunneling Mechanism - Semiempirical Calculations on the Electronic-Structures of Silica Silicon Clusters Komiyama M, Iwashita Y
371 - 377	Co and No Chemisorption on Heavy-Metal Surfaces - Cluster Model Study Watari N, Ohnishi S
379 - 382	DFT Description of Structure and Bonding in Transition-Metal Oxides Broclawik E
383 - 389	Monte-Carlo Simulation of the Sol-Gel Process for the Hydrolysis and Polycondensation of Tin Tetra-N-Butoxide Murakami Y, Matsumoto T, Yahikozawa K, Takasu Y
391 - 396	Mechanisms of CO2 Separation by Microporous Crystals Estimated by Computational Chemistry Nakazaki Y, Tanaka Y, Goto N, Inui T
397 - 402	Molecular-Dynamics Studies on Thermal-Behavior of an MFI-Type Zeolite Yamahara K, Okazaki K, Kawamura K
403 - 408	Density-Functional Calculations on Agostic Ethyl-Ti(IV) Complexes Munakata H, Ebisawa Y, Takashima Y, Wrinn MC, Scheiner AC, Newsam JM
409 - 416	Development of Ryuga for 3-Dimensional Dynamic Visualization of Molecular-Dynamics Results Miura R, Yamano H, Yamauchi R, Katagiri M, Kubo M, Vetrivel R, Miyamoto A
417 - 423	Atomic Processes in the Thermal-Destruction of Zeolites as Investigated by Molecular-Dynamics and Computer-Graphics Oumi Y, Yamano H, Kubo M, Vetrivel R, Miyamoto A
425 - 429	Structure and Lewis-Acid Sites in Alumoxane Compounds Yamasaki T
431 - 437	Theoretical-Study of No Decomposition on Cu-ZSM-5 Catalyst Models Yokomichi Y, Ohtsuka H, Tabata T, Okada O, Yokoi Y, Ishikawa H, Yamaguchi R, Matsui H, Tachibana A, Yamabe T
439 - 448	Computational Chemistry on Catalyst Technology and International Collaboration Arai Y