On the Physical Nature of Halogen Bonds: A QTAIM Study
- Author
- SYZGANTSEVA, Olga A1 ; TOGNETTI, Vincent1 ; JOUBERT, Laurent1
[1] Normandy Université, COBRA UMR 6014 and FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesniére, 76821 Mont Saint Aignan, France - Source
The journal of physical chemistry. A. 2013, Vol 117, Num 36, pp 8969-8980, 12 p ; ref : 126 ref
- ISSN
- 1089-5639
- Scientific domain
- General chemistry, physical chemistry; Materials; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Ammoniac Energie interaction Energie liaison Etude théorique Interaction intermoléculaire Liaison chimique Molécule polyatomique Méthode fonctionnelle densité Structure géométrique Système 2 molécules Théorie quantique 3115E 3170D NH3
- Keyword (en)
- Ammonia Interaction energy Binding energy Theoretical study Intermolecular interaction Chemical bonds Polyatomic molecules Density functional method Geometrical structure Two molecule system Quantum theory
- Keyword (es)
- Energía interacción Interacción intermolecular Estructura geométrica Sistema 2 moléculas
- 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) / 001B30A15E Density-functional theory
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A70 Effects of atomic and molecular interactions on electronic structure / 001B30A70D Environmental and solvent effects
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 27784693
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
10.1021/jp4059774 
https://dx.doi.org/10.1021/jp4059774
"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:17:\"10.1021\/jp4059774\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:54:\"On the Physical Nature of Halogen Bonds: A QTAIM Study\";s:9:\"\u0000*\u0000jtitle\";s:36:\"The journal of physical chemistry. A\";s:9:\"\u0000*\u0000stitle\";s:17:\"J. phys. chem., A\";s:7:\"\u0000*\u0000date\";s:4:\"2013\";s:9:\"\u0000*\u0000volume\";s:3:\"117\";s:8:\"\u0000*\u0000issue\";s:2:\"36\";s:8:\"\u0000*\u0000spage\";s:4:\"8969\";s:8:\"\u0000*\u0000epage\";s:4:\"8980\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1089-5639\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:11:\"SYZGANTSEVA\";s:10:\"\u0000*\u0000aufirst\";s:6:\"Olga A\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:17:\"TOGNETTI, Vincent\";i:1;s:16:\"JOUBERT, Laurent\";}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:54:\"On the Physical Nature of Halogen Bonds: A QTAIM Study\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"12\";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:17:\"10.1021\/jp4059774\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:54:\"On the Physical Nature of Halogen Bonds: A QTAIM Study\";s:9:\"\u0000*\u0000jtitle\";s:36:\"The journal of physical chemistry. A\";s:9:\"\u0000*\u0000stitle\";s:17:\"J. phys. chem., A\";s:7:\"\u0000*\u0000date\";s:4:\"2013\";s:9:\"\u0000*\u0000volume\";s:3:\"117\";s:8:\"\u0000*\u0000issue\";s:2:\"36\";s:8:\"\u0000*\u0000spage\";s:4:\"8969\";s:8:\"\u0000*\u0000epage\";s:4:\"8980\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1089-5639\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:11:\"SYZGANTSEVA\";s:10:\"\u0000*\u0000aufirst\";s:6:\"Olga A\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:17:\"TOGNETTI, Vincent\";i:1;s:16:\"JOUBERT, Laurent\";}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:54:\"On the Physical Nature of Halogen Bonds: A QTAIM Study\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"12\";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:17:\"10.1021\/jp4059774\";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:17:\"10.1021\/jp4059774\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:54:\"On the Physical Nature of Halogen Bonds: A QTAIM Study\";s:9:\"\u0000*\u0000jtitle\";s:36:\"The journal of physical chemistry. A\";s:9:\"\u0000*\u0000stitle\";s:17:\"J. phys. chem., A\";s:7:\"\u0000*\u0000date\";s:4:\"2013\";s:9:\"\u0000*\u0000volume\";s:3:\"117\";s:8:\"\u0000*\u0000issue\";s:2:\"36\";s:8:\"\u0000*\u0000spage\";s:4:\"8969\";s:8:\"\u0000*\u0000epage\";s:4:\"8980\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1089-5639\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:11:\"SYZGANTSEVA\";s:10:\"\u0000*\u0000aufirst\";s:6:\"Olga A\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:17:\"TOGNETTI, Vincent\";i:1;s:16:\"JOUBERT, Laurent\";}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:54:\"On the Physical Nature of Halogen Bonds: A QTAIM Study\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"12\";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:17:\"10.1021\/jp4059774\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:54:\"On the Physical Nature of Halogen Bonds: A QTAIM Study\";s:9:\"\u0000*\u0000jtitle\";s:36:\"The journal of physical chemistry. A\";s:9:\"\u0000*\u0000stitle\";s:17:\"J. phys. chem., A\";s:7:\"\u0000*\u0000date\";s:4:\"2013\";s:9:\"\u0000*\u0000volume\";s:3:\"117\";s:8:\"\u0000*\u0000issue\";s:2:\"36\";s:8:\"\u0000*\u0000spage\";s:4:\"8969\";s:8:\"\u0000*\u0000epage\";s:4:\"8980\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1089-5639\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:11:\"SYZGANTSEVA\";s:10:\"\u0000*\u0000aufirst\";s:6:\"Olga A\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:17:\"TOGNETTI, Vincent\";i:1;s:16:\"JOUBERT, Laurent\";}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:54:\"On the Physical Nature of Halogen Bonds: A QTAIM Study\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"12\";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:17:\"10.1021\/jp4059774\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:54:\"On the Physical Nature of Halogen Bonds: A QTAIM Study\";s:9:\"\u0000*\u0000jtitle\";s:36:\"The journal of physical chemistry. A\";s:9:\"\u0000*\u0000stitle\";s:17:\"J. phys. chem., A\";s:7:\"\u0000*\u0000date\";s:4:\"2013\";s:9:\"\u0000*\u0000volume\";s:3:\"117\";s:8:\"\u0000*\u0000issue\";s:2:\"36\";s:8:\"\u0000*\u0000spage\";s:4:\"8969\";s:8:\"\u0000*\u0000epage\";s:4:\"8980\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1089-5639\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:11:\"SYZGANTSEVA\";s:10:\"\u0000*\u0000aufirst\";s:6:\"Olga A\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:2:{i:0;s:17:\"TOGNETTI, Vincent\";i:1;s:16:\"JOUBERT, Laurent\";}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:54:\"On the Physical Nature of Halogen Bonds: A QTAIM Study\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"12\";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
