A topological analysis of molecular electrostatic potential on van der Waals surfaces for histamine and 4-substituted derivatives as H2-receptor agonists
- Author
- ARTECA, G. A1 ; HERNANDEZ-LAGUNA, A; RANDEZ, J. J; SMEYERS, Y. G; MEZEY, P. G
[1] Univ. Saskatchewan, dep. chemistry, Saskatoon SK S7N 0W0, Canada - Source
Journal of computational chemistry. 1991, Vol 12, Num 6, pp 705-716 ; ref : 32 ref
- CODEN
- JCCHDD
- ISSN
- 0192-8651
- Scientific domain
- Chemistry; Computer science; Atomic molecular physics
- Publisher
- Wiley, New York
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Distribution charge électronique Etude théorique Modèle van der Waals Méthode calcul Potentiel électrostatique Relation structure activité Surface potentiel Histamine dérivé
- Keyword (en)
- Electron charge distribution Theoretical study Van der Waals model Calculating method Electrostatic potential Structure activity relation Potential surface
- Keyword (es)
- Distribución carga electrónica Estudio teórico Modelo van der Waals Método cálculo Potencial electrostático Relación estructura actividad Superficie potencial
- 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)
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5019757
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/jcc.540120608 
https://dx.doi.org/10.1002/jcc.540120608
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