Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models
- Author
- BARON, Riccardo1 ; TRZESNIAK, Daniel1 ; DE VRIES, Alex H1 2 ; ELSENER, Andreas1 ; MARRINK, Siewert J2 ; VAN GUNSTEREN, Wilfred F1
[1] Laboratorium für Physikalische Chemie ETH, Swiss Federal Institute of Technology Zürich, 8093 Zürich, Switzerland
[2] Department of Biophysical Chemistry Groningen Biomolecular Sciences and Biotechnology Institute University of Groningen Nijenborgh 4, 9747 AG, Groningen, Netherlands - Source
ChemPhysChem (Print). 2007, Vol 8, Num 3, pp 452-461, 10 p ; ref : 75 ref
- Publisher
- Wiley, Weinheim
- Publication country
- Germany
- Document type
- Article
- Language
- English
- Author keyword
- GROMOS·GROMACS computational chemistry energy-entropy compensation force field
- Keyword (fr)
- Chimie Eau Energie Entropie Force Huile Modèle simulation Partitionnement Propriété thermodynamique Solvatation Vaporisation
- Keyword (en)
- Chemistry Water Energy Entropy Force Oil Simulation model Partitioning Thermodynamic properties Solvation Vaporization
- Keyword (es)
- Química Agua Energía Entropía Fuerza Aceite Modelo simulación Subdivisión Propiedad termodinámica Solvatación Vaporización
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01A Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry / 001C01A01 General. Nomenclature, chemical documentation, computer chemistry
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 18526762
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.200600658 
https://dx.doi.org/10.1002/cphc.200600658
"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.200600658\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:91:\"Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models\";s:9:\"\u0000*\u0000jtitle\";s:20:\"ChemPhysChem (Print)\";s:9:\"\u0000*\u0000stitle\";s:20:\"ChemPhysChem (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2007\";s:9:\"\u0000*\u0000volume\";s:1:\"8\";s:8:\"\u0000*\u0000issue\";s:1:\"3\";s:8:\"\u0000*\u0000spage\";s:3:\"452\";s:8:\"\u0000*\u0000epage\";s:3:\"461\";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:5:\"BARON\";s:10:\"\u0000*\u0000aufirst\";s:8:\"Riccardo\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:5:{i:0;s:17:\"TRZESNIAK, Daniel\";i:1;s:16:\"DE VRIES, Alex H\";i:2;s:16:\"ELSENER, Andreas\";i:3;s:18:\"MARRINK, Siewert J\";i:4;s:24:\"VAN GUNSTEREN, Wilfred F\";}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:91:\"Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models\";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:\"10\";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.200600658\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:91:\"Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models\";s:9:\"\u0000*\u0000jtitle\";s:20:\"ChemPhysChem (Print)\";s:9:\"\u0000*\u0000stitle\";s:20:\"ChemPhysChem (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2007\";s:9:\"\u0000*\u0000volume\";s:1:\"8\";s:8:\"\u0000*\u0000issue\";s:1:\"3\";s:8:\"\u0000*\u0000spage\";s:3:\"452\";s:8:\"\u0000*\u0000epage\";s:3:\"461\";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:5:\"BARON\";s:10:\"\u0000*\u0000aufirst\";s:8:\"Riccardo\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:5:{i:0;s:17:\"TRZESNIAK, Daniel\";i:1;s:16:\"DE VRIES, Alex H\";i:2;s:16:\"ELSENER, Andreas\";i:3;s:18:\"MARRINK, Siewert J\";i:4;s:24:\"VAN GUNSTEREN, Wilfred F\";}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:91:\"Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models\";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:\"10\";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.200600658\";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.200600658\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:91:\"Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models\";s:9:\"\u0000*\u0000jtitle\";s:20:\"ChemPhysChem (Print)\";s:9:\"\u0000*\u0000stitle\";s:20:\"ChemPhysChem (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2007\";s:9:\"\u0000*\u0000volume\";s:1:\"8\";s:8:\"\u0000*\u0000issue\";s:1:\"3\";s:8:\"\u0000*\u0000spage\";s:3:\"452\";s:8:\"\u0000*\u0000epage\";s:3:\"461\";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:5:\"BARON\";s:10:\"\u0000*\u0000aufirst\";s:8:\"Riccardo\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:5:{i:0;s:17:\"TRZESNIAK, Daniel\";i:1;s:16:\"DE VRIES, Alex H\";i:2;s:16:\"ELSENER, Andreas\";i:3;s:18:\"MARRINK, Siewert J\";i:4;s:24:\"VAN GUNSTEREN, Wilfred F\";}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:91:\"Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models\";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:\"10\";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.200600658\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:91:\"Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models\";s:9:\"\u0000*\u0000jtitle\";s:20:\"ChemPhysChem (Print)\";s:9:\"\u0000*\u0000stitle\";s:20:\"ChemPhysChem (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2007\";s:9:\"\u0000*\u0000volume\";s:1:\"8\";s:8:\"\u0000*\u0000issue\";s:1:\"3\";s:8:\"\u0000*\u0000spage\";s:3:\"452\";s:8:\"\u0000*\u0000epage\";s:3:\"461\";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:5:\"BARON\";s:10:\"\u0000*\u0000aufirst\";s:8:\"Riccardo\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:5:{i:0;s:17:\"TRZESNIAK, Daniel\";i:1;s:16:\"DE VRIES, Alex H\";i:2;s:16:\"ELSENER, Andreas\";i:3;s:18:\"MARRINK, Siewert J\";i:4;s:24:\"VAN GUNSTEREN, Wilfred F\";}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:91:\"Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models\";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:\"10\";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.200600658\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:91:\"Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models\";s:9:\"\u0000*\u0000jtitle\";s:20:\"ChemPhysChem (Print)\";s:9:\"\u0000*\u0000stitle\";s:20:\"ChemPhysChem (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2007\";s:9:\"\u0000*\u0000volume\";s:1:\"8\";s:8:\"\u0000*\u0000issue\";s:1:\"3\";s:8:\"\u0000*\u0000spage\";s:3:\"452\";s:8:\"\u0000*\u0000epage\";s:3:\"461\";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:5:\"BARON\";s:10:\"\u0000*\u0000aufirst\";s:8:\"Riccardo\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:5:{i:0;s:17:\"TRZESNIAK, Daniel\";i:1;s:16:\"DE VRIES, Alex H\";i:2;s:16:\"ELSENER, Andreas\";i:3;s:18:\"MARRINK, Siewert J\";i:4;s:24:\"VAN GUNSTEREN, Wilfred F\";}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:91:\"Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models\";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:\"10\";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
