Computational materials science. (2004)

• Record Type: Book
• Further Information: Note: Edited by Jerzy Leszczynski.
• Other Names: Leszczynski, Jerzy, 1949-
• Contents: Chaos and chemistry : simple models to understand chaos in chemistry / J.-M. Andre -- Reaction network analysis. The kinetics and mechanism of water-gas-shift reaction on Cu(111) / I. Fishtik, I., C.A. Callaghan, R. Datta -- Clusters, the intermediate state of matter / S. Roszak, J. Leszczynski -- Computer simulation of fullerenes and fullerites / I. Yanov, J. Leszczynski -- Theoretical approaches to the design of functional nanomaterials / P. Tarakeshwar, D. Kim, H.M. Lee, S.B. Suh, K.S. Kim -- Methods and implementation of robust, high-precision Gaussian basis DFT calculations for periodic systems : the GTOFF code / S.B. Trickey, J.A. Alford, J.C. Boetgger -- Many-body luminescence from highly excited quantum-confined structures / T.V. Shahbazyan, M.E. Raikh -- Spin-polarised surfaces : current state of density functional theory investigations / S.J. Jenkins -- Simulating the structure and reactivity of oxide surfaces from first principles / S.P. Bates, S.D. Elliott -- A theory-guided design of bimetallic nanoparticle catalysts for fuel cell applications / Y. Ishikawa, M.-S. Liao, C.R. Cabrera -- Supported metal species and adsorption complexes on metal oxides and in zeolites : density functional cluster model studies / N. Rosch, V.A. Nasluzov, K.M. Neyman, G. Pacchioni, G.N. Vayssilov.
• Publisher Details: Place of publication not identified : Elsevier Science
• Publication Date: 2004
• Extent: 1 online resource (472 pages)
• Subjects: 620.11011; Materials science -- Mathematical models; Materials science -- Computer simulation
• Languages: English
• ISBNs: 9780080529639; 0080529631
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.