Computational materials science / Richard Catlow and Eugene Kotomin.
Materyal türü:
MetinDil: İngilizce Seri kaydı: NATO science series. Series III, Computer and systems sciences, ; v. 187Yayın ayrıntıları:Tokyo : Ohmsha, c2003.Tanım: vii, 419 p. : ill. ; 25 cmISBN: - 1586033352 (IOS Press : hd. bd.)
- 4274906035 (Ohmsha : hd. bd.)
- 620.1
- TA404.23
| Materyal türü | Geçerli Kütüphane | Yer numarası | Durum | Barkod | |
|---|---|---|---|---|---|
| Book | NEU Grand Library General Collection | TA404.23 .N38 2003 (Rafa gözat(Aşağıda açılır)) | Kullanılabilir | 3355971003 |
"Published in cooperation with NATO Scientific Affairs Division."
"Proceedings of the NATO Advanced Study Institute on Computational Materials Science, 9-22 September 2001, Il Ciocco, Italy"--T.p. verso.
Includes bibliographical references and index.
Computer Modelling of Materials: an Introduction / Richard Catlow -- Methods of Electronic Structure Calculation / A. V. Postnikov -- An Introduction to Density Functional Theory / N. M. Harrison -- Hartree-Fock Method / I. V. Abarenkov -- On the Performance of Various Hamilitonians in the Study of Crystalline Compounds: the Case of Open Shell Systems / G. Mallia, R. Orlando, M. Llunell and R. Dovesi -- Translation Symmetry in Imperfect Crystal Modelling / R. A. Evarestov -- Vibrations in Solids and Small Particles from First-Principles Calculations / A. V. Postnikov -- Quantum Chemical Approach to Excited States in Material Science / Coen de Graaf, Carmen Sousa and Francesc Illas -- Computer Simulations of Polar Oxide Surfaces / Fabio Finocchi, Francois Bottin and Claudine Noguera -- Computer Simulation of Surface of Metals and Metal-Oxide Materials / Nora H. de Leeuw, Timothy G. Cooper, Christopher J. Nelson, Donald Mkhonto and Phuti E. Ngoepe -- Surface Relaxation in Solids and Nanoparticles / A. V. Postnikov -- Semiconductors I: Methods of Calculating Point Defects in Semiconductors / Peter Deak -- Semiconductors II: Tips for Modelling Point Defects in Semiconductors / Peter Deak -- Modeling of Point Defects, Polarons and Excitons in Ferroelectric Perovskites / E. A. Kotomin, R. I. Eglitis, G. Borstel and P. W. M. Jacobs -- Modelling Point Defects and Diffusion in Earth Materials / Kate Wright -- Molecular Dynamics Simulations of Silicate Glasses / A. N. Cormack -- Molecular Mechanism of Ethylene Epoxidation on Silver: State of the Problem, and Theoretical Approaches / Georgii M. Zhidomirov, Vasilii I. Avdeev and Andrei I. Boronin -- Atomistic Measures of Materials Strength and Deformation / Ju Li, Wei Cai, Jinpeng Chang and Sidney Yip --
Integrated Approach to Atomistic Simulation of Film Deposition Processes / Alexander A. Bagatur'yants, Anatoli A. Korkin, Konstantin P. Novoselov, Leonid L. Savchenko and Stanislav Ya. Umanskii.
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