SCRF study of the conformational equilibrium of chorismate in water
- Autor
- MADURGA, Sergio1 ; VILASECA, Eudald1
[1] Departament de Química Física i Centre de Recerca en Química Teôrica, Facultat de Química, Universitat de Barcelona, Martí i Franquès 1, 08028-Barcelona, Catalunya, Spain - Fuente
PCCP. Physical chemistry chemical physics (Print). 2001, Vol 3, Num 17, pp 3548-3554 ; ref : 22 ref
- Editor
- Royal Society of Chemistry, Cambridge
- País de la publicación
- United Kingdom
- Tipo de documento
- Article
- Idioma
- English
- Palabra clave (fr)
- Calcul ab initio Carboxylate Composé cyclique insaturé Composé organique Corrélation électronique Dianion organique Equilibre conformationnel Etude théorique Partition Moller Plesset Phase gazeuse Solution chimique Solvatation Structure moléculaire Cyclohexa-1,5-diènecarboxylate(4-hydroxy-3-[1-(carboxylato)vinyloxy]) Energie relative
- Palabra clave (in)
- Ab initio calculations Carboxylates Unsaturated cyclic compound Organic compounds Electron correlations Organic dianion Conformational equilibrium Theoretical study Moller Plesset partition Gas phase Chemical solution Solvation Molecular structure
- Palabra clave (es)
- Compuesto cíclico insaturado Dianión orgánico Equilibrio conformacional Partición Moller Plesset Solución química
- Clasificación
- 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 / 001B30A25 Electron correlation calculations for atoms and molecules / 001B30A25Q Electron-correlation calculations for polyatomic molecules
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C15 Properties of molecules and molecular ions / 001B30C15B General molecular conformation and symmetry; stereochemistry
- Disciplina
- Atomic and molecular physics
- Procedencia
- Inist-CNRS
- Base de datos
- PASCAL
- Identificador INIST
- 14124123
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
Acceso al documento
Install on your browser
DOI
10.1039/b104108h 
https://dx.doi.org/10.1039/b104108h
"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:16:\"10.1039\/b104108h\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:67:\"SCRF study of the conformational equilibrium of chorismate in water\";s:9:\"\u0000*\u0000jtitle\";s:49:\"PCCP. Physical chemistry chemical physics (Print)\";s:9:\"\u0000*\u0000stitle\";s:37:\"PCCP, Phys. chem. chem. phys. (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2001\";s:9:\"\u0000*\u0000volume\";s:1:\"3\";s:8:\"\u0000*\u0000issue\";s:2:\"17\";s:8:\"\u0000*\u0000spage\";s:4:\"3548\";s:8:\"\u0000*\u0000epage\";s:4:\"3554\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1463-9076\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"MADURGA\";s:10:\"\u0000*\u0000aufirst\";s:6:\"Sergio\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:1:{i:0;s:16:\"VILASECA, Eudald\";}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:67:\"SCRF study of the conformational equilibrium of chorismate in water\";s:8:\"\u0000*\u0000place\";s:9:\"Cambridge\";s:6:\"\u0000*\u0000pub\";s:26:\"Royal Society of Chemistry\";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;}"
Acceso mediante Panist
"O:12:\"IstexOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:16:\"10.1039\/b104108h\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:67:\"SCRF study of the conformational equilibrium of chorismate in water\";s:9:\"\u0000*\u0000jtitle\";s:49:\"PCCP. Physical chemistry chemical physics (Print)\";s:9:\"\u0000*\u0000stitle\";s:37:\"PCCP, Phys. chem. chem. phys. (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2001\";s:9:\"\u0000*\u0000volume\";s:1:\"3\";s:8:\"\u0000*\u0000issue\";s:2:\"17\";s:8:\"\u0000*\u0000spage\";s:4:\"3548\";s:8:\"\u0000*\u0000epage\";s:4:\"3554\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1463-9076\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"MADURGA\";s:10:\"\u0000*\u0000aufirst\";s:6:\"Sergio\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:1:{i:0;s:16:\"VILASECA, Eudald\";}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:67:\"SCRF study of the conformational equilibrium of chorismate in water\";s:8:\"\u0000*\u0000place\";s:9:\"Cambridge\";s:6:\"\u0000*\u0000pub\";s:26:\"Royal Society of Chemistry\";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;}"
Acceso mediante Istex
"O:16:\"UnpaywallOpenUrl\":35:{s:8:\"\u0000*\u0000email\";s:27:\"assistance-portail@inist.fr\";s:6:\"\u0000*\u0000fmt\";N;s:6:\"\u0000*\u0000doi\";s:16:\"10.1039\/b104108h\";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;}"
Acceso mediante Unpaywall
"O:16:\"EuropePMCOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:16:\"10.1039\/b104108h\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:67:\"SCRF study of the conformational equilibrium of chorismate in water\";s:9:\"\u0000*\u0000jtitle\";s:49:\"PCCP. Physical chemistry chemical physics (Print)\";s:9:\"\u0000*\u0000stitle\";s:37:\"PCCP, Phys. chem. chem. phys. (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2001\";s:9:\"\u0000*\u0000volume\";s:1:\"3\";s:8:\"\u0000*\u0000issue\";s:2:\"17\";s:8:\"\u0000*\u0000spage\";s:4:\"3548\";s:8:\"\u0000*\u0000epage\";s:4:\"3554\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1463-9076\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"MADURGA\";s:10:\"\u0000*\u0000aufirst\";s:6:\"Sergio\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:1:{i:0;s:16:\"VILASECA, Eudald\";}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:67:\"SCRF study of the conformational equilibrium of chorismate in water\";s:8:\"\u0000*\u0000place\";s:9:\"Cambridge\";s:6:\"\u0000*\u0000pub\";s:26:\"Royal Society of Chemistry\";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;}"
Acceso mediante Europe PubMed Central
"O:11:\"BaseOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:16:\"10.1039\/b104108h\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:67:\"SCRF study of the conformational equilibrium of chorismate in water\";s:9:\"\u0000*\u0000jtitle\";s:49:\"PCCP. Physical chemistry chemical physics (Print)\";s:9:\"\u0000*\u0000stitle\";s:37:\"PCCP, Phys. chem. chem. phys. (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2001\";s:9:\"\u0000*\u0000volume\";s:1:\"3\";s:8:\"\u0000*\u0000issue\";s:2:\"17\";s:8:\"\u0000*\u0000spage\";s:4:\"3548\";s:8:\"\u0000*\u0000epage\";s:4:\"3554\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1463-9076\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"MADURGA\";s:10:\"\u0000*\u0000aufirst\";s:6:\"Sergio\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:1:{i:0;s:16:\"VILASECA, Eudald\";}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:67:\"SCRF study of the conformational equilibrium of chorismate in water\";s:8:\"\u0000*\u0000place\";s:9:\"Cambridge\";s:6:\"\u0000*\u0000pub\";s:26:\"Royal Society of Chemistry\";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;}"
Acceso mediante Base Search
"O:12:\"ArXivOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:16:\"10.1039\/b104108h\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:67:\"SCRF study of the conformational equilibrium of chorismate in water\";s:9:\"\u0000*\u0000jtitle\";s:49:\"PCCP. Physical chemistry chemical physics (Print)\";s:9:\"\u0000*\u0000stitle\";s:37:\"PCCP, Phys. chem. chem. phys. (Print)\";s:7:\"\u0000*\u0000date\";s:4:\"2001\";s:9:\"\u0000*\u0000volume\";s:1:\"3\";s:8:\"\u0000*\u0000issue\";s:2:\"17\";s:8:\"\u0000*\u0000spage\";s:4:\"3548\";s:8:\"\u0000*\u0000epage\";s:4:\"3554\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1463-9076\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:7:\"MADURGA\";s:10:\"\u0000*\u0000aufirst\";s:6:\"Sergio\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:1:{i:0;s:16:\"VILASECA, Eudald\";}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:67:\"SCRF study of the conformational equilibrium of chorismate in water\";s:8:\"\u0000*\u0000place\";s:9:\"Cambridge\";s:6:\"\u0000*\u0000pub\";s:26:\"Royal Society of Chemistry\";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;}"
Acceso mediante arXiv
