Proton transfer 200 years after von grotthuss : Insights from ab initio simulations
- Author
- MARX, Dominik1
[1] Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany - Source
ChemPhysChem (Print). 2006, Vol 7, Num 9, pp 1848-1870, 23 p ; ref : 198 ref
- Publisher
- Wiley, Weinheim
- Publication country
- Germany
- Document type
- Article
- Language
- English
- Author keyword
- ab initio calculations hydrogen bonds isotope effects molecular dynamics proton transport
- Keyword (fr)
- Calcul ab initio Effet isotopique Etude théorique Liaison hydrogène Méthode dynamique moléculaire Transfert proton 3115A 3115Q
- Keyword (en)
- Ab initio calculations Isotope effects Theoretical study Hydrogen bonds Molecular dynamics method Proton transfer
- Keyword (es)
- Transferencia protón
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15A Ab initio calculations
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15Q Molecular dynamics and other numerical methods
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 18097016
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
10.1002/cphc.200600128 
https://dx.doi.org/10.1002/cphc.200600128
"O:13:\"PanistOpenUrl\":36:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000idc\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:22:\"10.1002\/cphc.200600128\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:83:\"Proton transfer 200 years after von grotthuss : Insights from ab initio simulations\";s:9:\"\u0000*\u0000jtitle\";s:20:\"ChemPhysChem (Print)\";s:9:\"\u0000*\u0000stitle\";s:20:\"ChemPhysChem (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2006\";s:9:\"\u0000*\u0000volume\";s:1:\"7\";s:8:\"\u0000*\u0000issue\";s:1:\"9\";s:8:\"\u0000*\u0000spage\";s:4:\"1848\";s:8:\"\u0000*\u0000epage\";s:4:\"1870\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1439-4235\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:4:\"MARX\";s:10:\"\u0000*\u0000aufirst\";s:7:\"Dominik\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:0:{}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:83:\"Proton transfer 200 years after von grotthuss : Insights from ab initio simulations\";s:8:\"\u0000*\u0000place\";s:8:\"Weinheim\";s:6:\"\u0000*\u0000pub\";s:5:\"Wiley\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"23\";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:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:22:\"10.1002\/cphc.200600128\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:83:\"Proton transfer 200 years after von grotthuss : Insights from ab initio simulations\";s:9:\"\u0000*\u0000jtitle\";s:20:\"ChemPhysChem (Print)\";s:9:\"\u0000*\u0000stitle\";s:20:\"ChemPhysChem (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2006\";s:9:\"\u0000*\u0000volume\";s:1:\"7\";s:8:\"\u0000*\u0000issue\";s:1:\"9\";s:8:\"\u0000*\u0000spage\";s:4:\"1848\";s:8:\"\u0000*\u0000epage\";s:4:\"1870\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1439-4235\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:4:\"MARX\";s:10:\"\u0000*\u0000aufirst\";s:7:\"Dominik\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:0:{}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:83:\"Proton transfer 200 years after von grotthuss : Insights from ab initio simulations\";s:8:\"\u0000*\u0000place\";s:8:\"Weinheim\";s:6:\"\u0000*\u0000pub\";s:5:\"Wiley\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"23\";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:22:\"10.1002\/cphc.200600128\";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:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:22:\"10.1002\/cphc.200600128\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:83:\"Proton transfer 200 years after von grotthuss : Insights from ab initio simulations\";s:9:\"\u0000*\u0000jtitle\";s:20:\"ChemPhysChem (Print)\";s:9:\"\u0000*\u0000stitle\";s:20:\"ChemPhysChem (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2006\";s:9:\"\u0000*\u0000volume\";s:1:\"7\";s:8:\"\u0000*\u0000issue\";s:1:\"9\";s:8:\"\u0000*\u0000spage\";s:4:\"1848\";s:8:\"\u0000*\u0000epage\";s:4:\"1870\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1439-4235\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:4:\"MARX\";s:10:\"\u0000*\u0000aufirst\";s:7:\"Dominik\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:0:{}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:83:\"Proton transfer 200 years after von grotthuss : Insights from ab initio simulations\";s:8:\"\u0000*\u0000place\";s:8:\"Weinheim\";s:6:\"\u0000*\u0000pub\";s:5:\"Wiley\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"23\";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:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:22:\"10.1002\/cphc.200600128\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:83:\"Proton transfer 200 years after von grotthuss : Insights from ab initio simulations\";s:9:\"\u0000*\u0000jtitle\";s:20:\"ChemPhysChem (Print)\";s:9:\"\u0000*\u0000stitle\";s:20:\"ChemPhysChem (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2006\";s:9:\"\u0000*\u0000volume\";s:1:\"7\";s:8:\"\u0000*\u0000issue\";s:1:\"9\";s:8:\"\u0000*\u0000spage\";s:4:\"1848\";s:8:\"\u0000*\u0000epage\";s:4:\"1870\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1439-4235\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:4:\"MARX\";s:10:\"\u0000*\u0000aufirst\";s:7:\"Dominik\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:0:{}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:83:\"Proton transfer 200 years after von grotthuss : Insights from ab initio simulations\";s:8:\"\u0000*\u0000place\";s:8:\"Weinheim\";s:6:\"\u0000*\u0000pub\";s:5:\"Wiley\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"23\";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:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:22:\"10.1002\/cphc.200600128\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:83:\"Proton transfer 200 years after von grotthuss : Insights from ab initio simulations\";s:9:\"\u0000*\u0000jtitle\";s:20:\"ChemPhysChem (Print)\";s:9:\"\u0000*\u0000stitle\";s:20:\"ChemPhysChem (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2006\";s:9:\"\u0000*\u0000volume\";s:1:\"7\";s:8:\"\u0000*\u0000issue\";s:1:\"9\";s:8:\"\u0000*\u0000spage\";s:4:\"1848\";s:8:\"\u0000*\u0000epage\";s:4:\"1870\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1439-4235\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:4:\"MARX\";s:10:\"\u0000*\u0000aufirst\";s:7:\"Dominik\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:0:{}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:83:\"Proton transfer 200 years after von grotthuss : Insights from ab initio simulations\";s:8:\"\u0000*\u0000place\";s:8:\"Weinheim\";s:6:\"\u0000*\u0000pub\";s:5:\"Wiley\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"23\";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
