DREIDING : a generic force field for molecular simulations
- Author
- MAYO, S. L; OLAFSON, B. D; GODDARD, W. A
BioDesign, Inc., Pasadena CA 91101, United States - Source
Journal of physical chemistry (1952). 1990, Vol 94, Num 26, pp 8897-8909 ; ref : 29 ref
- CODEN
- JPCHAX
- ISSN
- 0022-3654
- Scientific domain
- General chemistry, physical chemistry; Metallurgy, welding; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Barrière rotation Composé organique Etude théorique Interaction électrostatique Méthode champ force Rotation interne Structure moléculaire Stéréoisomère Energie relative
- Keyword (en)
- Rotation barrier Organic compounds Theoretical study Electrostatic interaction Force field method Internal rotation Molecular structure Stereoisomer
- Keyword (es)
- Barrera rotación Compuesto orgánico Estudio teórico Interacción electrostática Método campo fuerza Rotación interna Estructura molecular Estereoisómero
- 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) / 001B30A15C Semi-empirical and empirical calculations (differential overlap, hückel, ppp methods, etc.)
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 4973407
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/j100389a010 
https://dx.doi.org/10.1021/j100389a010
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