On finding stationary states on large-molecule potential energy surfaces
- Author
- NGUYEN, D. T; CASE, D. A
Univ. California, dep. chemistry - Source
Journal of physical chemistry (1952). 1985, Vol 89, Num 19, pp 4020-4026 ; ref : dissem
- 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)
- Composé aliphatique saturé Composé cyclique saturé Composé modèle Composé monocyclique Composé organique Cyclooctane Dialamine Diglycine Dipeptide Etat stationnaire Etat transition Etude théorique Hydrocarbure Inversion conformation Méthode Newton Raphson Méthode calcul Surface potentiel
- Keyword (en)
- Saturated aliphatic compound Saturated cyclic compound Model compound Monocyclic compound Organic compounds Dipeptides Stationary state Transition state Theoretical study Hydrocarbon Conformation inversion Newton Raphson method Calculating method Potential surface
- Keyword (es)
- Compuesto modelo Compuesto organico Dipeptido Estado estacionario Estado transitorio Hidrocarburo
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30D Atomic and molecular collision processes and interactions / 001B30D20 Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 8797947
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/j100265a018 
https://dx.doi.org/10.1021/j100265a018
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