A theoretical study of medium effects on the structure of the glycine analogue aminomethylphosphonic acid
- Author
- BENBRAHIM, Nasséra1 2 3 ; RAHMOUNI, Ali3 ; RUIZ-LOPEZ, Manuel F1
[1] Theoretical Chemistry and Biochemistry group, SRSMC, Nancy-University, CNRS, BP 239, 54506 Vandoeuvre-lès-Nancy, France
[2] Département de Médecine, Faculté de Médecine Taleb Mourad, Université Djillali Liabes, Sidi Bel Abbés, 22000, Algeria
[3] Laboratoire de Modélisation et de Méthodes de Calcul, Centre Universitaire Docteur Moulay Tahar, Saïda, Algeria - Source
PCCP. Physical chemistry chemical physics (Print). 2008, Vol 10, Num 36, pp 5624-5632, 9 p ; ref : 80 ref
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Acide carboxylique Acidité Calcul Continuum Cyclohexane Eau Effet milieu Energie libre Environnement Etude comparative Etude théorique Gaz ionisé Glycine Géométrie Hydrophobicité Liaison hydrogène Liquide Modèle Méthode fonctionnelle densité Phase gazeuse Similitude Solution aqueuse Solvant polaire Stabilité Structure Transfert énergie α-Aminoacide 3115E Propriété thermodynamique
- Keyword (en)
- Carboxylic acid Acidity Calculation Continuum Cyclohexane Water Medium effect Free energy Environment Comparative study Theoretical study Ionized gas Glycine Geometry Hydrophobicity Hydrogen bond Liquid Models Density functional method Gas phase Similarity Aqueous solution Polar solvent Stability Structure Energy transfer α-Aminoacid Thermodynamic properties
- Keyword (es)
- Acido carboxílico Acidez Cálculo Continuo Ciclohexano Agua Efecto medio Energía libre Medio ambiente Estudio comparativo Estudio teórico Gas ionizado Glicina Geometría Hidrofobicidad Enlace hidrógeno Líquido Modelo Fase gaseosa Similitud Solución acuosa Disolvente polar Estabilidad Estructura Transferencia energía α-Aminoácido Propiedad termodinámica
- Classification
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 20760122
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
10.1039/b804694h 
https://dx.doi.org/10.1039/b804694h
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