Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces
- Author
- ERMOSHIN, V. A1 2 ; SMIRNOV, K. S1 ; BOUGEARD, D2
[1] LASIR-CNRS, Université des Sciences et Technologies de Lille, Bât. C5, 59655 Villeneuve d'Ascq, France
[2] Institute of Physics, St. Petersburg State University, St. Petersburg 198904, Russian Federation - Conference title
- VAS-8: Vibrations at surfaces 8
- Conference name
- International Conference on Vibrations at Surfaces (8 ; Birmingham 1996-06-23)
- Author (monograph)
- PALMER, R. E (Editor)1 ; SCHMIDT, J (Editor)1 ; BIRD, D. M (Editor)2 ; KOLASINSKI, K. W (Editor)3 ; MCCONVILLE, C. F (Editor)4 ; RAVAL, R (Editor)5
Commission of the European Communities, Luxembourg, Luxembourg (Funder/Sponsor)
Institute of Physics (IOP) ; Thin Films and Surface Group, London, United Kingdom (Funder/Sponsor)
British Vacuum Council (BVC), United Kingdom (Funder/Sponsor)
European Physical Society (EPS), Petit-Lancy, Switzerland (Funder/Sponsor)
American Physical Society (APS), New York NY, United States (Funder/Sponsor)
[1] Nanoscale Physics Research Laboratory, School of Physics and Space Research, University of Birmingham, United Kingdom
[2] Department of Physics, University of Bath, United Kingdom
[3] School of Chemistry, University of Birmingham, United Kingdom
[4] Department of Physics, University of Warwick, United Kingdom
[5] Leverhulme Centre for Innovative Catalysis, University of Liverpool, United Kingdom - Source
Surface science. 1996, Vol 368, Num 1-3, pp 147-151 ; ref : 17 ref
- Publisher
- Elsevier Science, Amsterdam
/
Elsevier Science, Lausanne
/
Elsevier Science, New York, NY
- Publication country
- Netherlands
- Document type
- Conference Paper
- Language
- Russian
- Keyword (fr)
- Calcul dynamique moléculaire Etat amorphe Etude théorique Mode vibration Silice Simulation numérique Spectre Raman Zéolite
- Keyword (en)
- Molecular dynamics calculations Amorphous state Theoretical study Vibrational mode Silica Numerical simulation Raman spectra Zeolites
- Keyword (es)
- Modo de vibración Simulación numérica
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60H Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) / 001B60H35 Solid surfaces and solid-solid interfaces / 001B60H35J Surface and interface dynamics and vibrations
- Discipline
- Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 2550503
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/S0039-6028(96)01043-6 
https://dx.doi.org/10.1016/S0039-6028(96)01043-6
"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:29:\"10.1016\/S0039-6028(96)01043-6\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:105:\"Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces\";s:9:\"\u0000*\u0000jtitle\";s:15:\"Surface science\";s:9:\"\u0000*\u0000stitle\";s:9:\"Surf. sci\";s:7:\"\u0000*\u0000date\";s:4:\"1996\";s:9:\"\u0000*\u0000volume\";s:3:\"368\";s:8:\"\u0000*\u0000issue\";s:3:\"1-3\";s:8:\"\u0000*\u0000spage\";s:3:\"147\";s:8:\"\u0000*\u0000epage\";s:3:\"151\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0039-6028\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:8:\"ERMOSHIN\";s:10:\"\u0000*\u0000aufirst\";s:4:\"V. A\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:13:\"SMIRNOV, K. S\";i:1;s:11:\"BOUGEARD, D\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"SUSCAS\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:31:\"VAS-8: Vibrations at surfaces 8\";s:8:\"\u0000*\u0000title\";s:105:\"Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces\";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:29:\"10.1016\/S0039-6028(96)01043-6\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:105:\"Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces\";s:9:\"\u0000*\u0000jtitle\";s:15:\"Surface science\";s:9:\"\u0000*\u0000stitle\";s:9:\"Surf. sci\";s:7:\"\u0000*\u0000date\";s:4:\"1996\";s:9:\"\u0000*\u0000volume\";s:3:\"368\";s:8:\"\u0000*\u0000issue\";s:3:\"1-3\";s:8:\"\u0000*\u0000spage\";s:3:\"147\";s:8:\"\u0000*\u0000epage\";s:3:\"151\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0039-6028\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:8:\"ERMOSHIN\";s:10:\"\u0000*\u0000aufirst\";s:4:\"V. A\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:13:\"SMIRNOV, K. S\";i:1;s:11:\"BOUGEARD, D\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"SUSCAS\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:31:\"VAS-8: Vibrations at surfaces 8\";s:8:\"\u0000*\u0000title\";s:105:\"Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces\";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:29:\"10.1016\/S0039-6028(96)01043-6\";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:29:\"10.1016\/S0039-6028(96)01043-6\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:105:\"Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces\";s:9:\"\u0000*\u0000jtitle\";s:15:\"Surface science\";s:9:\"\u0000*\u0000stitle\";s:9:\"Surf. sci\";s:7:\"\u0000*\u0000date\";s:4:\"1996\";s:9:\"\u0000*\u0000volume\";s:3:\"368\";s:8:\"\u0000*\u0000issue\";s:3:\"1-3\";s:8:\"\u0000*\u0000spage\";s:3:\"147\";s:8:\"\u0000*\u0000epage\";s:3:\"151\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0039-6028\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:8:\"ERMOSHIN\";s:10:\"\u0000*\u0000aufirst\";s:4:\"V. A\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:13:\"SMIRNOV, K. S\";i:1;s:11:\"BOUGEARD, D\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"SUSCAS\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:31:\"VAS-8: Vibrations at surfaces 8\";s:8:\"\u0000*\u0000title\";s:105:\"Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces\";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:29:\"10.1016\/S0039-6028(96)01043-6\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:105:\"Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces\";s:9:\"\u0000*\u0000jtitle\";s:15:\"Surface science\";s:9:\"\u0000*\u0000stitle\";s:9:\"Surf. sci\";s:7:\"\u0000*\u0000date\";s:4:\"1996\";s:9:\"\u0000*\u0000volume\";s:3:\"368\";s:8:\"\u0000*\u0000issue\";s:3:\"1-3\";s:8:\"\u0000*\u0000spage\";s:3:\"147\";s:8:\"\u0000*\u0000epage\";s:3:\"151\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0039-6028\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:8:\"ERMOSHIN\";s:10:\"\u0000*\u0000aufirst\";s:4:\"V. A\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:13:\"SMIRNOV, K. S\";i:1;s:11:\"BOUGEARD, D\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"SUSCAS\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:31:\"VAS-8: Vibrations at surfaces 8\";s:8:\"\u0000*\u0000title\";s:105:\"Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces\";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:29:\"10.1016\/S0039-6028(96)01043-6\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:105:\"Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces\";s:9:\"\u0000*\u0000jtitle\";s:15:\"Surface science\";s:9:\"\u0000*\u0000stitle\";s:9:\"Surf. sci\";s:7:\"\u0000*\u0000date\";s:4:\"1996\";s:9:\"\u0000*\u0000volume\";s:3:\"368\";s:8:\"\u0000*\u0000issue\";s:3:\"1-3\";s:8:\"\u0000*\u0000spage\";s:3:\"147\";s:8:\"\u0000*\u0000epage\";s:3:\"151\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0039-6028\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:8:\"ERMOSHIN\";s:10:\"\u0000*\u0000aufirst\";s:4:\"V. A\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:13:\"SMIRNOV, K. S\";i:1;s:11:\"BOUGEARD, D\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"SUSCAS\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:31:\"VAS-8: Vibrations at surfaces 8\";s:8:\"\u0000*\u0000title\";s:105:\"Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces\";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
