Methods for calculating geometries of transition states in solution
- Autor
- MADURA, J. D1 ; PETTIT, B. M; MCCAMMON, J. A
[1] Univ. Houston, dep. chemistry, Houston TX 77204, United States - Fuente
Chemical physics. 1989, Vol 129, Num 2, pp 185-191 ; ref : 15 ref
- CODEN
- CMPHC2
- ISSN
- 0301-0104
- Campo Científico
- Metallurgy, welding; Atomic molecular physics; Condensed state physics; Polymers, paint and wood industries
- Editor
- Elsevier, Amsterdam
- País de la publicación
- Netherlands
- Tipo de documento
- Article
- Idioma
- English
- Palabra clave (fr)
- Calcul Energie libre Etat transition Etude méthode Géométrie Modèle Lennard Jones Méthode simplexe Propriété thermodynamique
- Palabra clave (in)
- Calculation Free energy Transition state Method study Geometry Lennard Jones model Simplex method Thermodynamic properties
- Palabra clave (es)
- Cálculo Energía libre Estado transitorio Estudio método Geometría Modelo Lennard Jones Método simplejo Propiedad termodinámica
- Clasificación
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01B Solutions / 001C01B01 General
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01B Solutions / 001C01B02 Solution properties
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01B Solutions / 001C01B03 Solubility
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01B Solutions / 001C01B04 Solvation. Solvent properties
- Disciplina
- General chemistry and physical chemistry
- Procedencia
- Inist-CNRS
- Base de datos
- PASCAL
- Identificador INIST
- 7163136
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
10.1016/0301-0104(89)80003-5 
https://dx.doi.org/10.1016/0301-0104(89)80003-5
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