Ab Initio MP2 and Density Functional Theory Computational Study of AcAlaNH2 Peptide Hydration: A Bottom-Up Approach
- Author
- LANZA, Giuseppe1 ; CHIACCHIO, Maria A1
[1] Dipartimento di Scienze del Farmaco, Universitá di Catania Viale A. Doria 6, 95125 Catania, Italy - Source
ChemPhysChem (Print). 2014, Vol 15, Num 13, pp 2785-2793, 9 p ; ref : 40 ref
- Publisher
- Wiley, Weinheim
- Publication country
- Germany
- Document type
- Article
- Language
- English
- Author keyword
- ab initio calculations dialanine hydration structure elucidation thermodynamic functions
- Keyword (fr)
- Calcul Eau Fonction thermodynamique Hydratation Méthode fonctionnelle densité Peptide Structure
- Keyword (en)
- Calculation Water Thermodynamic function Hydration Density functional method Peptides Structure
- Keyword (es)
- Cálculo Agua Función termodinámica Hidratación Péptido Estructura
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01B Solutions / 001C01B04 Solvation. Solvent properties
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 28775949
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.201402222 
https://dx.doi.org/10.1002/cphc.201402222
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