Aqueous solvation of N-methylacetamide conformers : comparison of simulations and integral equation theories
- Author
- HSIANG-AI YU1 ; PETTITT, B. M; KARPLUS, M
[1] Harvard univ., dep. chemistry, Cambridge MA 02138, United States - Source
Journal of the American Chemical Society. 1991, Vol 113, Num 7, pp 2425-2434 ; ref : 80 ef
- CODEN
- JACSAT
- ISSN
- 0002-7863
- Scientific domain
- Biochemistry, molecular biology, biophysics; Chemistry; Organic chemistry; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Composé organique Conformation Dynamique conformationnelle Etude théorique Solution aqueuse Etude comparative Solvatation
- Keyword (en)
- Organic compounds Conformation Conformational dynamics Theoretical study Aqueous solution
- Keyword (es)
- Compuesto orgánico Conformación Dinámica conformacional Estudio teórico Solución acuosa
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5342215
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
10.1021/ja00007a012 
https://dx.doi.org/10.1021/ja00007a012
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