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by Vladimir A. Basiuk and Piero Ugliengo
Download Quantum Chemical Calculations of Surfaces and Interfaces of Materials fb2
  • Author:
    Vladimir A. Basiuk and Piero Ugliengo
  • ISBN:
    1588831388
  • ISBN13:
    978-1588831385
  • Genre:
  • Publisher:
    American Scientific Publishers (June 17, 2009)
  • Pages:
    500 pages
  • Language:
  • FB2 format
    1332 kb
  • ePUB format
    1198 kb
  • DJVU format
    1392 kb
  • Rating:
    4.9
  • Votes:
    850
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This interdisciplinary book focuses on the applications of quantum chemical theory for the calculations of chemical and physical properties of surfaces and interfaces of materials

This interdisciplinary book focuses on the applications of quantum chemical theory for the calculations of chemical and physical properties of surfaces and interfaces of materials.

Includes bibliographical references and index. Surface chemistry Textbooks Quantum chemistry. Personal Name: Basiuk, Vladimir A. Personal Name: Ugliengo, Piero. Rubrics: Surface chemistry Textbooks Quantum chemistry. Download PDF book format. Download DOC book format.

PDF On Jan 1, 2009, Vladimir A. Basiuk and others published Quantum Chemical Calculations of Surfaces . Book · January 2009 with 229 Reads. How we measure 'reads'

PDF On Jan 1, 2009, Vladimir A. Basiuk and others published Quantum Chemical Calculations of Surfaces and Interfaces of Materials. How we measure 'reads'. Isbn: 978-1-58883-138-8. Publisher: American Scientific Publishers. Cite this publication. Universidad Nacional Autónoma de México.

Quantum Chemical Calcu. by Vladimir A. Basiuk. See a Problem? We’d love your help. Lists with This Book. This book is not yet featured on Listopia.

Textbooks, Surface chemistry, Quantum chemistry.

Personal Name: Ugliengo, Piero. On this site it is impossible to download the book, read the book online or get the contents of a book. The administration of the site is not responsible for the content of the site. The data of catalog based on open source database. All rights are reserved by their owners.

P Ugliengo, D Viterbo, G Chiari . Zeitschrift für stalline Materials 208 (1-2), 383-384, 1993. Realistic models of hydroxylated amorphous silica surfaces and MCM41 mesoporous material simulated by largescale periodic B3LYP calculations. P Ugliengo, M Sodupe, F Musso, IJ Bush, R Orlando, R Dovesi. Advanced Materials 20 (23), 4579-4583, 2008. Experimental and quantum chemical studies on the adsorption of carbon dioxide on ed ZSM-5 zeolites. B Bonelli, B Civalleri, B Fubini, P Ugliengo, CO Areán, E Garrone. The Journal of Physical Chemistry B 104 (47), 10978-10988, 2000.

Quantum Chemical Calculations of Surfaces and Interfaces of Materials, Basiuk, . and Ugliengo, . Ed. Stevenson Ranch, Calif. ASP, 2009, p. 12. oogle Scholar. epartment of Chemistry, Graduate School of Science and Institute for International EducationTohoku n.

Dipartimento di Chimica and Nanostructured Interfaces and Surfaces (NIS), Università . MDPI and ACS Style Rimola, Albert; Sodupe, Mariona; Ugliengo, Piero.

Dipartimento di Chimica and Nanostructured Interfaces and Surfaces (NIS), Università degli Studi di Torino, Via P. Giuria 7, 10125 Torino, Italy. Authors to whom correspondence should be addressed. Rimola, . Sodupe, . Ugliengo, P. Role of Mineral Surfaces in Prebiotic Chemical Evolution. In Silico Quantum Mechanical Studies. Life 2019, 9, 10. AMA Style. Rimola, Albert; Sodupe, Mariona; Ugliengo, Piero.

DESCRIPTION: This interdisciplinary book focuses on the applications of quantum chemical theory for the calculations of chemical and physical properties of surfaces and interfaces of materials. This book brings together theoretical chemists and experimental material scientists to share experience on how valuable information on the structure of solid surfaces, their reactivity and selectivity in different chemical processes, as well as electronic and spectral properties can be complemented by means of theoretical treatment in order to predict experimental results. A special emphasis is put on the use of density functional theory and related methods, within different approximations (local density and general gradient approximations), with variable basis sets, cluster and periodic models, static and dynamic calculations. The materials considered range from relatively simple metal and graphite surfaces to confined geometries such as zeolite cages and carbon nanotubes, with their present and future practical applications in adsorption, heterogeneous catalysis, emission control, fuel cells, semiconductors, sensors, among others. This book contains 17 state-of-the-art review chapters written by world s leading authorities in the field.