A Quantitative View of Charge Transfer in the Hydrogen Bond: The Water Dimer Case
- Author
- RONCA, Enrico1 2 ; BELPASSI, Leonardo2 ; TARANTELLI, Francesco1 2
[1] Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, via Elce di Sotto 8, 06123 Perugia, Italy
[2] Istituto di Scienze e Tecnologie Molecolari del CNR, via Elce di Sotto 8, 06123 Perugia, Italy - Source
ChemPhysChem (Print). 2014, Vol 15, Num 13, pp 2682-2687, 6 p ; ref : 55 ref
- Publisher
- Wiley, Weinheim
- Publication country
- Germany
- Document type
- Article
- Language
- English
- Author keyword
- ab initio calculations charge transfer hydrogen bonds intermolecular interactions water dimer
- Keyword (fr)
- Calcul ab initio Etude théorique Hydrogène Interaction intermoléculaire Liaison hydrogène Solution aqueuse Structure électronique Transfert charge 3115A 3170D
- Keyword (en)
- Ab initio calculations Theoretical study Hydrogen Intermolecular interaction Hydrogen bonds Aqueous solutions Electronic structure Charge transfer
- Keyword (es)
- Interacción intermolecular Transferencia carga
- 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 / 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
- 28775934
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
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DOI
10.1002/cphc.201402321 
https://dx.doi.org/10.1002/cphc.201402321
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