Molecular dynamics simulation of hydrogen bonding in monoethanolamine
- Author
- BUTTON, J. K1 ; GUBBINS, K. E1 ; TANAKA, H2 ; NAKANISHI, K2
[1] Department of Chemical Engineering, Cornell University, Ithaca, New York, 14853, United States
[2] Department of Polymer Chemistry, Kyoto University, Sakyo-ku, Kyoto 606-01, Japan - Conference title
- International Conference on Fluid Properties and Phase Equilibria for Chemical Process Design
- Conference name
- International Conference on Fluid Properties and Phase Equilibria for Chemical Process Design (7 ; Snowmass Village, CO 1995-06-18)
- Author (monograph)
- ELY, James F (Editor)1
[1] Department of Chemical Engineering, Colorado School of Mines, Golden, CO 80401-1887, United States - Source
Fluid phase equilibria. 1996, Vol 116, Num 1-2, pp 320-325 ; ref : 6 ref
- CODEN
- FPEQDT
- ISSN
- 0378-3812
- Scientific domain
- General chemistry, physical chemistry
- Publisher
- Elsevier Science, Amsterdam
- Publication country
- Netherlands
- Document type
- Conference Paper
- Language
- English
- Keyword (fr)
- Aminoalcool Energie liaison Energie potentielle Fonction distribution radiale Interaction intermoléculaire Liaison hydrogène Modèle moléculaire Méthode dynamique moléculaire Propriété thermodynamique Simulation numérique Ethanolamine
- Keyword (en)
- Aminoalcohol Binding energy Potential energy Radial distribution function Intermolecular interaction Hydrogen bond Molecular model Molecular dynamics method Thermodynamic properties Numerical simulation
- Keyword (es)
- Aminoalcohol Energía enlace Energía potencial Función distribución radial Interacción intermolecular Enlace hidrógeno Modelo molecular Método dinámico molecular Propiedad termodinámica Simulación numérica
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01E Chemical thermodynamics / 001C01E02 Thermodynamic properties / 001C01E02A Elements, mineral and organic compounds
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 2591202
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
10.1016/0378-3812(95)02902-8 
https://dx.doi.org/10.1016/0378-3812(95)02902-8
"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\/0378-3812(95)02902-8\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:69:\"Molecular dynamics simulation of hydrogen bonding in monoethanolamine\";s:9:\"\u0000*\u0000jtitle\";s:22:\"Fluid phase equilibria\";s:9:\"\u0000*\u0000stitle\";s:19:\"Fluid phase equilib\";s:7:\"\u0000*\u0000date\";s:4:\"1996\";s:9:\"\u0000*\u0000volume\";s:3:\"116\";s:8:\"\u0000*\u0000issue\";s:3:\"1-2\";s:8:\"\u0000*\u0000spage\";s:3:\"320\";s:8:\"\u0000*\u0000epage\";s:3:\"325\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0378-3812\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"BUTTON\";s:10:\"\u0000*\u0000aufirst\";s:4:\"J. K\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:13:\"GUBBINS, K. E\";i:1;s:9:\"TANAKA, H\";i:2;s:12:\"NAKANISHI, K\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"FPEQDT\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:93:\"International Conference on Fluid Properties and Phase Equilibria for Chemical Process Design\";s:8:\"\u0000*\u0000title\";s:69:\"Molecular dynamics simulation of hydrogen bonding in monoethanolamine\";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\/0378-3812(95)02902-8\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:69:\"Molecular dynamics simulation of hydrogen bonding in monoethanolamine\";s:9:\"\u0000*\u0000jtitle\";s:22:\"Fluid phase equilibria\";s:9:\"\u0000*\u0000stitle\";s:19:\"Fluid phase equilib\";s:7:\"\u0000*\u0000date\";s:4:\"1996\";s:9:\"\u0000*\u0000volume\";s:3:\"116\";s:8:\"\u0000*\u0000issue\";s:3:\"1-2\";s:8:\"\u0000*\u0000spage\";s:3:\"320\";s:8:\"\u0000*\u0000epage\";s:3:\"325\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0378-3812\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"BUTTON\";s:10:\"\u0000*\u0000aufirst\";s:4:\"J. K\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:13:\"GUBBINS, K. E\";i:1;s:9:\"TANAKA, H\";i:2;s:12:\"NAKANISHI, K\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"FPEQDT\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:93:\"International Conference on Fluid Properties and Phase Equilibria for Chemical Process Design\";s:8:\"\u0000*\u0000title\";s:69:\"Molecular dynamics simulation of hydrogen bonding in monoethanolamine\";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\/0378-3812(95)02902-8\";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\/0378-3812(95)02902-8\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:69:\"Molecular dynamics simulation of hydrogen bonding in monoethanolamine\";s:9:\"\u0000*\u0000jtitle\";s:22:\"Fluid phase equilibria\";s:9:\"\u0000*\u0000stitle\";s:19:\"Fluid phase equilib\";s:7:\"\u0000*\u0000date\";s:4:\"1996\";s:9:\"\u0000*\u0000volume\";s:3:\"116\";s:8:\"\u0000*\u0000issue\";s:3:\"1-2\";s:8:\"\u0000*\u0000spage\";s:3:\"320\";s:8:\"\u0000*\u0000epage\";s:3:\"325\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0378-3812\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"BUTTON\";s:10:\"\u0000*\u0000aufirst\";s:4:\"J. K\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:13:\"GUBBINS, K. E\";i:1;s:9:\"TANAKA, H\";i:2;s:12:\"NAKANISHI, K\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"FPEQDT\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:93:\"International Conference on Fluid Properties and Phase Equilibria for Chemical Process Design\";s:8:\"\u0000*\u0000title\";s:69:\"Molecular dynamics simulation of hydrogen bonding in monoethanolamine\";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\/0378-3812(95)02902-8\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:69:\"Molecular dynamics simulation of hydrogen bonding in monoethanolamine\";s:9:\"\u0000*\u0000jtitle\";s:22:\"Fluid phase equilibria\";s:9:\"\u0000*\u0000stitle\";s:19:\"Fluid phase equilib\";s:7:\"\u0000*\u0000date\";s:4:\"1996\";s:9:\"\u0000*\u0000volume\";s:3:\"116\";s:8:\"\u0000*\u0000issue\";s:3:\"1-2\";s:8:\"\u0000*\u0000spage\";s:3:\"320\";s:8:\"\u0000*\u0000epage\";s:3:\"325\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0378-3812\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"BUTTON\";s:10:\"\u0000*\u0000aufirst\";s:4:\"J. K\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:13:\"GUBBINS, K. E\";i:1;s:9:\"TANAKA, H\";i:2;s:12:\"NAKANISHI, K\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"FPEQDT\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:93:\"International Conference on Fluid Properties and Phase Equilibria for Chemical Process Design\";s:8:\"\u0000*\u0000title\";s:69:\"Molecular dynamics simulation of hydrogen bonding in monoethanolamine\";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\/0378-3812(95)02902-8\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:69:\"Molecular dynamics simulation of hydrogen bonding in monoethanolamine\";s:9:\"\u0000*\u0000jtitle\";s:22:\"Fluid phase equilibria\";s:9:\"\u0000*\u0000stitle\";s:19:\"Fluid phase equilib\";s:7:\"\u0000*\u0000date\";s:4:\"1996\";s:9:\"\u0000*\u0000volume\";s:3:\"116\";s:8:\"\u0000*\u0000issue\";s:3:\"1-2\";s:8:\"\u0000*\u0000spage\";s:3:\"320\";s:8:\"\u0000*\u0000epage\";s:3:\"325\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0378-3812\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"BUTTON\";s:10:\"\u0000*\u0000aufirst\";s:4:\"J. K\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:13:\"GUBBINS, K. E\";i:1;s:9:\"TANAKA, H\";i:2;s:12:\"NAKANISHI, K\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"FPEQDT\";s:8:\"\u0000*\u0000genre\";s:10:\"proceeding\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:93:\"International Conference on Fluid Properties and Phase Equilibria for Chemical Process Design\";s:8:\"\u0000*\u0000title\";s:69:\"Molecular dynamics simulation of hydrogen bonding in monoethanolamine\";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
