Theoretical Aspects of Heterogeneous Catalysis
Heterogeneous catalysis is a fascinating and complex subject of utmost importance in the present day. Its immense technological and economical importance and the inherent complexity of the catalytic phenomena have stimulated theoretical and experimental studies by a broad spectrum of scientists, inc...
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| Format: | Elektronisch E-Book |
| Sprache: | English |
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Dordrecht
Springer Netherlands
2001
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| Schriftenreihe: | Progress in Theoretical Chemistry and Physics
8 |
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| 245 | 1 | 0 | |a Theoretical Aspects of Heterogeneous Catalysis |c edited by W. N. Lipscomb, I. Prigogine, J. Maruani, S. Wilson, H. Ågren, D. Avnir, J. Cioslowski, R. Daudel, E. K. U. Gross, W. F. van Gunsteren, K. Hirao, I. Hubač, M. P. Levy, G. L. Malli, R. McWeeny, P. G. Mezey, Marco Antonio Chaer Nascimento, J. Rychlewski, S. D. Schwartz, Y. G. Smeyers, S. Suhai, O. Tapia, P. R. Taylor, R. G. Woolley |
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| 520 | |a Heterogeneous catalysis is a fascinating and complex subject of utmost importance in the present day. Its immense technological and economical importance and the inherent complexity of the catalytic phenomena have stimulated theoretical and experimental studies by a broad spectrum of scientists, including chemists, physicists, chemical engineers, and material scientists. Computational and theoretical techniques are now having a major impact in this field. This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities of the theoretical and computational methods for studying the various steps (diffusion, adsorption, chemical reaction) of heterogeneous catalytic process involving zeolites, metal oxides, and transition metal surfaces. The book covers: the use of techniques of computational chemistry to simulate zeolites, metallic and bimetallic surfaces, and oxide-supported metals; the impact of simulation methods on the understanding of the diffusion and adsorption of molecules and cations within the pores of zeolites, and also on the adsorption of molecules on metal and metal-oxide surfaces; and the applications of quantum-mechanical methods to the study of the reaction mechanism and pathways of the adsorbed molecules. This book is recommended primarily to scientists and graduate students conducting research in the fields of heterogeneous catalysis and surface science. It will also be valuable to advanced undergraduate students wishing to become acquainted with the latest developments in these exciting fields of research, and to experimentalists seeking theoretical support for interpreting their results | ||
| 650 | 4 | |a Chemistry | |
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| 650 | 4 | |a Physical Chemistry | |
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Datensatz im Suchindex
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| author_facet | Lipscomb, W. N. Prigogine, I. Maruani, J. Wilson, S. |
| building | Verbundindex |
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| classification_rvk | VE 7040 |
| collection | ZDB-2-CMS |
| ctrlnum | (ZDB-2-CMS)978-0-306-47667-9 (OCoLC)1050947456 (DE-599)BVBBV045151727 |
| dewey-full | 541.395 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 541 - Physical chemistry |
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| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| doi_str_mv | 10.1007/0-306-47667-3 |
| format | Electronic eBook |
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| indexdate | 2024-12-24T06:50:49Z |
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| isbn | 9780306476679 |
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| spelling | Theoretical Aspects of Heterogeneous Catalysis edited by W. N. Lipscomb, I. Prigogine, J. Maruani, S. Wilson, H. Ågren, D. Avnir, J. Cioslowski, R. Daudel, E. K. U. Gross, W. F. van Gunsteren, K. Hirao, I. Hubač, M. P. Levy, G. L. Malli, R. McWeeny, P. G. Mezey, Marco Antonio Chaer Nascimento, J. Rychlewski, S. D. Schwartz, Y. G. Smeyers, S. Suhai, O. Tapia, P. R. Taylor, R. G. Woolley Dordrecht Springer Netherlands 2001 1 Online-Ressource (X, 258 p) txt rdacontent c rdamedia cr rdacarrier Progress in Theoretical Chemistry and Physics 8 Heterogeneous catalysis is a fascinating and complex subject of utmost importance in the present day. Its immense technological and economical importance and the inherent complexity of the catalytic phenomena have stimulated theoretical and experimental studies by a broad spectrum of scientists, including chemists, physicists, chemical engineers, and material scientists. Computational and theoretical techniques are now having a major impact in this field. This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities of the theoretical and computational methods for studying the various steps (diffusion, adsorption, chemical reaction) of heterogeneous catalytic process involving zeolites, metal oxides, and transition metal surfaces. The book covers: the use of techniques of computational chemistry to simulate zeolites, metallic and bimetallic surfaces, and oxide-supported metals; the impact of simulation methods on the understanding of the diffusion and adsorption of molecules and cations within the pores of zeolites, and also on the adsorption of molecules on metal and metal-oxide surfaces; and the applications of quantum-mechanical methods to the study of the reaction mechanism and pathways of the adsorbed molecules. This book is recommended primarily to scientists and graduate students conducting research in the fields of heterogeneous catalysis and surface science. It will also be valuable to advanced undergraduate students wishing to become acquainted with the latest developments in these exciting fields of research, and to experimentalists seeking theoretical support for interpreting their results Chemistry Catalysis Physical Chemistry Computer Applications in Chemistry Theoretical and Computational Chemistry Chemoinformatics Physical chemistry Chemistry, Physical and theoretical Heterogene Katalyse (DE-588)4123377-3 gnd rswk-swf Heterogene Katalyse (DE-588)4123377-3 s 1\p DE-604 Lipscomb, W. N. edt Prigogine, I. edt Maruani, J. edt Wilson, S. edt Erscheint auch als Druck-Ausgabe 9781402001277 https://doi.org/10.1007/0-306-47667-3 Verlag URL des Erstveröffentlichers Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Theoretical Aspects of Heterogeneous Catalysis Chemistry Catalysis Physical Chemistry Computer Applications in Chemistry Theoretical and Computational Chemistry Chemoinformatics Physical chemistry Chemistry, Physical and theoretical Heterogene Katalyse (DE-588)4123377-3 gnd |
| subject_GND | (DE-588)4123377-3 |
| title | Theoretical Aspects of Heterogeneous Catalysis |
| title_auth | Theoretical Aspects of Heterogeneous Catalysis |
| title_exact_search | Theoretical Aspects of Heterogeneous Catalysis |
| title_full | Theoretical Aspects of Heterogeneous Catalysis edited by W. N. Lipscomb, I. Prigogine, J. Maruani, S. Wilson, H. Ågren, D. Avnir, J. Cioslowski, R. Daudel, E. K. U. Gross, W. F. van Gunsteren, K. Hirao, I. Hubač, M. P. Levy, G. L. Malli, R. McWeeny, P. G. Mezey, Marco Antonio Chaer Nascimento, J. Rychlewski, S. D. Schwartz, Y. G. Smeyers, S. Suhai, O. Tapia, P. R. Taylor, R. G. Woolley |
| title_fullStr | Theoretical Aspects of Heterogeneous Catalysis edited by W. N. Lipscomb, I. Prigogine, J. Maruani, S. Wilson, H. Ågren, D. Avnir, J. Cioslowski, R. Daudel, E. K. U. Gross, W. F. van Gunsteren, K. Hirao, I. Hubač, M. P. Levy, G. L. Malli, R. McWeeny, P. G. Mezey, Marco Antonio Chaer Nascimento, J. Rychlewski, S. D. Schwartz, Y. G. Smeyers, S. Suhai, O. Tapia, P. R. Taylor, R. G. Woolley |
| title_full_unstemmed | Theoretical Aspects of Heterogeneous Catalysis edited by W. N. Lipscomb, I. Prigogine, J. Maruani, S. Wilson, H. Ågren, D. Avnir, J. Cioslowski, R. Daudel, E. K. U. Gross, W. F. van Gunsteren, K. Hirao, I. Hubač, M. P. Levy, G. L. Malli, R. McWeeny, P. G. Mezey, Marco Antonio Chaer Nascimento, J. Rychlewski, S. D. Schwartz, Y. G. Smeyers, S. Suhai, O. Tapia, P. R. Taylor, R. G. Woolley |
| title_short | Theoretical Aspects of Heterogeneous Catalysis |
| title_sort | theoretical aspects of heterogeneous catalysis |
| topic | Chemistry Catalysis Physical Chemistry Computer Applications in Chemistry Theoretical and Computational Chemistry Chemoinformatics Physical chemistry Chemistry, Physical and theoretical Heterogene Katalyse (DE-588)4123377-3 gnd |
| topic_facet | Chemistry Catalysis Physical Chemistry Computer Applications in Chemistry Theoretical and Computational Chemistry Chemoinformatics Physical chemistry Chemistry, Physical and theoretical Heterogene Katalyse |
| url | https://doi.org/10.1007/0-306-47667-3 |
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