Molecular dynamics simulation of the structure of the catalytic system La2O3-γ-Al2O3
- Author
- ALVAREZ, L. J1 ; FERNANDEZ SANZ, J; CAPITAN, M. J; ODRIOZOLA, J. A
[1] Univ. nacional autónoma México, dirección gen. serv. cómputo acad., Mexico City 04510, Mexico - Conference title
- International congress of theoretical chemists of latin expression
- Conference name
- International congress of theoretical chemists of latin expression (20 ; Merida 1992-10-12)
- Author (monograph)
- SMEYERS, Yves G (Editor)1 ; LUDENA, Edwardo V (Editor); ORVILLE-THOMAS, W. J (Editor)
[1] CSIC, inst. estructura materia, unidad estructural quimica teorica, 28006 Madrid, Spain - Source
Journal of molecular structure. Theochem. 1993, Vol 287, pp 161-166 ; ref : 15 ref
- CODEN
- JMOSB4
- ISSN
- 0166-1280
- Scientific domain
- Atomic molecular physics
- Publisher
- Elsevier Science, Amsterdam
- Publication country
- Netherlands
- Document type
- Conference Paper
- Language
- English
- Keyword (fr)
- Calcul dynamique moléculaire Catalyseur sur support Composé binaire Fonction distribution radiale Lanthane oxyde Modèle structure Simulation ordinateur Vibration réseau La O La2O3 Composé minéral Lanthanide composé Métal transition composé
- Keyword (en)
- Molecular dynamics calculations Supported catalyst Binary compounds Radial distribution function Lanthanum oxides Structural models Computerized simulation Lattice vibrations Inorganic compounds Rare earth compounds Transition element compounds
- Keyword (es)
- Catalizador sobre soporte Función distribución radial
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B00 General / 001B00B Mathematical methods in physics / 001B00B70 Computational techniques / 001B00B70N Molecular dynamics and particle methods
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography / 001B60A66 Structure of specific crystalline solids / 001B60A66F Inorganic compounds / 001B60A66F1 Water, oxides, hydroxides, peroxides
- Discipline
- Mathematics Physics of condensed state : structure, mechanical and thermal properties Theoretical physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 3850380
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Access to the document
Install on your browser
DOI
10.1016/0166-1280(93)87218-3 
https://dx.doi.org/10.1016/0166-1280(93)87218-3
"O:13:\"PanistOpenUrl\":36:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000idc\";N;s:6:\"\u0000*\u0000fmt\";s:10:\"proceeding\";s:6:\"\u0000*\u0000doi\";s:28:\"10.1016\/0166-1280(93)87218-3\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:85:\"Molecular dynamics simulation of the structure of the catalytic system La2O3-\u03b3-Al2O3\";s:9:\"\u0000*\u0000jtitle\";s:40:\"Journal of molecular structure. Theochem\";s:9:\"\u0000*\u0000stitle\";s:24:\"J. mol. struct. Theochem\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:3:\"287\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:3:\"161\";s:8:\"\u0000*\u0000epage\";s:3:\"166\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0166-1280\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"ALVAREZ\";s:10:\"\u0000*\u0000aufirst\";s:4:\"L. J\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:17:\"FERNANDEZ SANZ, J\";i:1;s:13:\"CAPITAN, M. J\";i:2;s:15:\"ODRIOZOLA, J. A\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JMOSB4\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:66:\"International congress of theoretical chemists of latin expression\";s:8:\"\u0000*\u0000title\";s:85:\"Molecular dynamics simulation of the structure of the catalytic system La2O3-\u03b3-Al2O3\";s:8:\"\u0000*\u0000place\";s:9:\"Amsterdam\";s:6:\"\u0000*\u0000pub\";s:16:\"Elsevier Science\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Panist access
"O:12:\"IstexOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:10:\"proceeding\";s:6:\"\u0000*\u0000doi\";s:28:\"10.1016\/0166-1280(93)87218-3\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:85:\"Molecular dynamics simulation of the structure of the catalytic system La2O3-\u03b3-Al2O3\";s:9:\"\u0000*\u0000jtitle\";s:40:\"Journal of molecular structure. Theochem\";s:9:\"\u0000*\u0000stitle\";s:24:\"J. mol. struct. Theochem\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:3:\"287\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:3:\"161\";s:8:\"\u0000*\u0000epage\";s:3:\"166\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0166-1280\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"ALVAREZ\";s:10:\"\u0000*\u0000aufirst\";s:4:\"L. J\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:17:\"FERNANDEZ SANZ, J\";i:1;s:13:\"CAPITAN, M. J\";i:2;s:15:\"ODRIOZOLA, J. A\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JMOSB4\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:66:\"International congress of theoretical chemists of latin expression\";s:8:\"\u0000*\u0000title\";s:85:\"Molecular dynamics simulation of the structure of the catalytic system La2O3-\u03b3-Al2O3\";s:8:\"\u0000*\u0000place\";s:9:\"Amsterdam\";s:6:\"\u0000*\u0000pub\";s:16:\"Elsevier Science\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Istex access
"O:16:\"UnpaywallOpenUrl\":35:{s:8:\"\u0000*\u0000email\";s:27:\"assistance-portail@inist.fr\";s:6:\"\u0000*\u0000fmt\";N;s:6:\"\u0000*\u0000doi\";s:28:\"10.1016\/0166-1280(93)87218-3\";s:6:\"\u0000*\u0000pii\";N;s:7:\"\u0000*\u0000pmid\";N;s:9:\"\u0000*\u0000atitle\";N;s:9:\"\u0000*\u0000jtitle\";N;s:9:\"\u0000*\u0000stitle\";N;s:7:\"\u0000*\u0000date\";N;s:9:\"\u0000*\u0000volume\";N;s:8:\"\u0000*\u0000issue\";N;s:8:\"\u0000*\u0000spage\";N;s:8:\"\u0000*\u0000epage\";N;s:8:\"\u0000*\u0000pages\";N;s:7:\"\u0000*\u0000issn\";N;s:8:\"\u0000*\u0000eissn\";N;s:9:\"\u0000*\u0000aulast\";N;s:10:\"\u0000*\u0000aufirst\";N;s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";N;s:9:\"\u0000*\u0000aucorp\";N;s:7:\"\u0000*\u0000isbn\";N;s:8:\"\u0000*\u0000coden\";N;s:8:\"\u0000*\u0000genre\";N;s:7:\"\u0000*\u0000part\";N;s:9:\"\u0000*\u0000btitle\";N;s:8:\"\u0000*\u0000title\";N;s:8:\"\u0000*\u0000place\";N;s:6:\"\u0000*\u0000pub\";N;s:10:\"\u0000*\u0000edition\";N;s:9:\"\u0000*\u0000tpages\";N;s:9:\"\u0000*\u0000series\";N;s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";N;}"
Unpaywall access
"O:16:\"EuropePMCOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:10:\"proceeding\";s:6:\"\u0000*\u0000doi\";s:28:\"10.1016\/0166-1280(93)87218-3\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:85:\"Molecular dynamics simulation of the structure of the catalytic system La2O3-\u03b3-Al2O3\";s:9:\"\u0000*\u0000jtitle\";s:40:\"Journal of molecular structure. Theochem\";s:9:\"\u0000*\u0000stitle\";s:24:\"J. mol. struct. Theochem\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:3:\"287\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:3:\"161\";s:8:\"\u0000*\u0000epage\";s:3:\"166\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0166-1280\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"ALVAREZ\";s:10:\"\u0000*\u0000aufirst\";s:4:\"L. J\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:17:\"FERNANDEZ SANZ, J\";i:1;s:13:\"CAPITAN, M. J\";i:2;s:15:\"ODRIOZOLA, J. A\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JMOSB4\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:66:\"International congress of theoretical chemists of latin expression\";s:8:\"\u0000*\u0000title\";s:85:\"Molecular dynamics simulation of the structure of the catalytic system La2O3-\u03b3-Al2O3\";s:8:\"\u0000*\u0000place\";s:9:\"Amsterdam\";s:6:\"\u0000*\u0000pub\";s:16:\"Elsevier Science\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Europe PubMed Central access
"O:11:\"BaseOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:10:\"proceeding\";s:6:\"\u0000*\u0000doi\";s:28:\"10.1016\/0166-1280(93)87218-3\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:85:\"Molecular dynamics simulation of the structure of the catalytic system La2O3-\u03b3-Al2O3\";s:9:\"\u0000*\u0000jtitle\";s:40:\"Journal of molecular structure. Theochem\";s:9:\"\u0000*\u0000stitle\";s:24:\"J. mol. struct. Theochem\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:3:\"287\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:3:\"161\";s:8:\"\u0000*\u0000epage\";s:3:\"166\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0166-1280\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"ALVAREZ\";s:10:\"\u0000*\u0000aufirst\";s:4:\"L. J\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:17:\"FERNANDEZ SANZ, J\";i:1;s:13:\"CAPITAN, M. J\";i:2;s:15:\"ODRIOZOLA, J. A\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JMOSB4\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:66:\"International congress of theoretical chemists of latin expression\";s:8:\"\u0000*\u0000title\";s:85:\"Molecular dynamics simulation of the structure of the catalytic system La2O3-\u03b3-Al2O3\";s:8:\"\u0000*\u0000place\";s:9:\"Amsterdam\";s:6:\"\u0000*\u0000pub\";s:16:\"Elsevier Science\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Base Search access
"O:12:\"ArXivOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:10:\"proceeding\";s:6:\"\u0000*\u0000doi\";s:28:\"10.1016\/0166-1280(93)87218-3\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:85:\"Molecular dynamics simulation of the structure of the catalytic system La2O3-\u03b3-Al2O3\";s:9:\"\u0000*\u0000jtitle\";s:40:\"Journal of molecular structure. Theochem\";s:9:\"\u0000*\u0000stitle\";s:24:\"J. mol. struct. Theochem\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:3:\"287\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:3:\"161\";s:8:\"\u0000*\u0000epage\";s:3:\"166\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0166-1280\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"ALVAREZ\";s:10:\"\u0000*\u0000aufirst\";s:4:\"L. J\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:17:\"FERNANDEZ SANZ, J\";i:1;s:13:\"CAPITAN, M. J\";i:2;s:15:\"ODRIOZOLA, J. A\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"JMOSB4\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:66:\"International congress of theoretical chemists of latin expression\";s:8:\"\u0000*\u0000title\";s:85:\"Molecular dynamics simulation of the structure of the catalytic system La2O3-\u03b3-Al2O3\";s:8:\"\u0000*\u0000place\";s:9:\"Amsterdam\";s:6:\"\u0000*\u0000pub\";s:16:\"Elsevier Science\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
arXiv access
