New methods for modelling processes within solids and at their surfaces:
Gespeichert in:
| Weitere Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Oxford [u.a.]
Oxford Univ. Press
1993
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| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | Aus: Philosophical transactions of the Royal Society ; 341 |
| Beschreibung: | 183 S. Ill., graph. Darst. |
| ISBN: | 0198539886 |
Internformat
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Datensatz im Suchindex
| _version_ | 1804124314071465984 |
|---|---|
| adam_text | CONTENTS PAGE UNDERSTANDING DEFECTS IN SEMICONDUCTORS: SPIN-OFF FROM
TECHNOLOGY 1 G. A. BARAFF AB INITIO HARTREE*FOCK TREATMENT OF IONIC AND
SEMI-IONIC COMPOUNDS: STATE OF THE ART 9 R. DOVESI, C. ROETTI, C.
FREYRIA-FAVA, E. APRA, V. R. SAUNDERS AND N. M. HARRISON ROLE OF
PARALLEL ARCHITECTURES IN PERIODIC BOUNDARY CALCULATIONS 17 M. C. PAYNE,
L.J. CLARKE AND I. STICH DISCUSSION: A. M. STONEHAM 26 CRYSTAL
EXCITATION: SURVEY OF MANY-ELECTRON HARTREE*FOCK CALCULATIONS OF
SELF-TRAPPED EXCITONS IN INSULATING CRYSTALS 27 A. L. SHLUGER, A. H.
HARKER, R. W. GRIMES AND C. R. A. CATLOW DIRECT FREE ENERGY MINIMIZATION
METHODS: APPLICATION TO GRAIN BOUNDARIES 39 A. P. SUTTON DISCUSSION: P.
A. MULHERAN, A. M. STONEHAM 51 THEORY OF IMPURITY AND DEFECT INDUCED
INSTABILITIES 53 D.J. CHADI DISCUSSION: A. M. STONEHAM 59 MODELLING OF
CATALYSTS AND ITS RELATION TO EXPERIMENTAL PROBLEMS 61 C. RICHARD A.
CATLOW AND JOHN MEURIG THOMAS THE QUANTUM-CHEMICAL BASIS OF THE
CATALYTIC REACTIVITY OF TRANSITION METALS 7 5 R. A. VAN SANTEN, M. C.
ZONNEVYLLE AND A. P. J. JANSEN DISCUSSION: P. C. H. MITCHELL, A. M.
STONEHAM 87 SIMULATION OF GROWTH PROCESSES 89 J. H. HARDING ELECTRONIC
STRUCTURE OF SURFACES AND OF ADSORBED SPECIES 99 J. B. PENDRY
DISCUSSION: A. M. STONEHAM 106 CLASSICAL AND QUANTUM SIMULATION OF THE
SURFACE PROPERTIES OF ALPHA-AL 2 O 3 107 W. C. MACKRODT DISCUSSION: J.
M. THOMAS, G. ACKLAND 118 ATOMISTIC MODELLING OF DIFFUSIONAL PHASE
TRANSFORMATIONS 119 A. CEREZO, J. M. HYDE, M. K. MILLER, S. C. PETTS, R.
P. SETNA AND G. D. W. SMITH INTERMOLECULAR INTERACTIONS AND THE NATURE
OF ORIENTATIONAL ORDERING IN THE SOLID FULLERENES C 60 AND C 70 133
AILAN CHENG, MICHAEL KLEIN, MICHELE PARRINELLO AND MICHIEL SPRIK
DISCUSSION: M. LAI 142 SIMULATIONS OF MATERIALS: FROM ELECTRONS TO
FRICTION 143 UZI LANDMAN, R. N. BARNETT AND W. D. LUEDTKE AB INITIO
CLUSTER CALCULATIONS OF DEFECTS IN SOLIDS 157 R.JONES DISCUSSION: P. C.
H. MITCHELL 165 HARDWARE AND QUANTUM MECHANICAL CALCULATIONS 167 E.
WIMMER DISCUSSION: A. M. STONEHAM 177 INDEX 179
|
| any_adam_object | 1 |
| author2 | Catlow, Charles R. A. 1947- |
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| author_facet | Catlow, Charles R. A. 1947- |
| building | Verbundindex |
| bvnumber | BV009944691 |
| classification_rvk | UP 1300 |
| ctrlnum | (OCoLC)450749173 (DE-599)BVBBV009944691 |
| discipline | Physik |
| format | Book |
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| illustrated | Illustrated |
| indexdate | 2024-07-09T17:43:41Z |
| institution | BVB |
| isbn | 0198539886 |
| language | English |
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| physical | 183 S. Ill., graph. Darst. |
| publishDate | 1993 |
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| publisher | Oxford Univ. Press |
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| spelling | New methods for modelling processes within solids and at their surfaces ed. by C. R. A. Catlow ... Oxford [u.a.] Oxford Univ. Press 1993 183 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Aus: Philosophical transactions of the Royal Society ; 341 Computersimulation (DE-588)4148259-1 gnd rswk-swf Gitterbaufehler (DE-588)4125030-8 gnd rswk-swf Halbleiter (DE-588)4022993-2 gnd rswk-swf Festkörperoberfläche (DE-588)4127823-9 gnd rswk-swf Festkörperphysik (DE-588)4016921-2 gnd rswk-swf Mathematisches Modell (DE-588)4114528-8 gnd rswk-swf (DE-588)4143413-4 Aufsatzsammlung gnd-content Festkörperphysik (DE-588)4016921-2 s Mathematisches Modell (DE-588)4114528-8 s Computersimulation (DE-588)4148259-1 s DE-604 Festkörperoberfläche (DE-588)4127823-9 s Halbleiter (DE-588)4022993-2 s Gitterbaufehler (DE-588)4125030-8 s Catlow, Charles R. A. 1947- (DE-588)133583937 edt OEBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=006589502&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | New methods for modelling processes within solids and at their surfaces Computersimulation (DE-588)4148259-1 gnd Gitterbaufehler (DE-588)4125030-8 gnd Halbleiter (DE-588)4022993-2 gnd Festkörperoberfläche (DE-588)4127823-9 gnd Festkörperphysik (DE-588)4016921-2 gnd Mathematisches Modell (DE-588)4114528-8 gnd |
| subject_GND | (DE-588)4148259-1 (DE-588)4125030-8 (DE-588)4022993-2 (DE-588)4127823-9 (DE-588)4016921-2 (DE-588)4114528-8 (DE-588)4143413-4 |
| title | New methods for modelling processes within solids and at their surfaces |
| title_auth | New methods for modelling processes within solids and at their surfaces |
| title_exact_search | New methods for modelling processes within solids and at their surfaces |
| title_full | New methods for modelling processes within solids and at their surfaces ed. by C. R. A. Catlow ... |
| title_fullStr | New methods for modelling processes within solids and at their surfaces ed. by C. R. A. Catlow ... |
| title_full_unstemmed | New methods for modelling processes within solids and at their surfaces ed. by C. R. A. Catlow ... |
| title_short | New methods for modelling processes within solids and at their surfaces |
| title_sort | new methods for modelling processes within solids and at their surfaces |
| topic | Computersimulation (DE-588)4148259-1 gnd Gitterbaufehler (DE-588)4125030-8 gnd Halbleiter (DE-588)4022993-2 gnd Festkörperoberfläche (DE-588)4127823-9 gnd Festkörperphysik (DE-588)4016921-2 gnd Mathematisches Modell (DE-588)4114528-8 gnd |
| topic_facet | Computersimulation Gitterbaufehler Halbleiter Festkörperoberfläche Festkörperphysik Mathematisches Modell Aufsatzsammlung |
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