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Journal of chemical physics, Vol.7. A method of obtaining the expanded secular equation for the vibration frequencies of a molecule / E. B. Wilson
in The Journal of chemical physics
Titre de série : Journal of chemical physics, Vol.7 Titre : A method of obtaining the expanded secular equation for the vibration frequencies of a molecule Type de document : articles et extraits Auteurs : E. B. Wilson, Auteur Année de publication : 1939 Importance : p.1047-1052 Langues : Français (fre)
in The Journal of chemical physics
Journal of chemical physics, Vol.7. A method of obtaining the expanded secular equation for the vibration frequencies of a molecule [articles et extraits] / E. B. Wilson, Auteur . - 1939 . - p.1047-1052.
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Code-barres Cote Support Localisation Section Disponibilité ART-6696-0 ART Document imprimé Bureau chercheur Bureau de FRISCH, Thomas Disponible Journal of chemical physics, Vol.9. Some mathematical methods for the study of molecular vibrations / E. B. Wilson
in The Journal of chemical physics
Titre de série : Journal of chemical physics, Vol.9 Titre : Some mathematical methods for the study of molecular vibrations Type de document : articles et extraits Auteurs : E. B. Wilson, Auteur Année de publication : 1941 Importance : p.76-84 Langues : Français (fre)
in The Journal of chemical physics
Journal of chemical physics, Vol.9. Some mathematical methods for the study of molecular vibrations [articles et extraits] / E. B. Wilson, Auteur . - 1941 . - p.76-84.
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Code-barres Cote Support Localisation Section Disponibilité ART-6698-0 ART Document imprimé Bureau chercheur Bureau de FRISCH, Thomas Disponible Journal of chemical physics, Vol.7. The skeletal modes of vibration of long chain molecules / J. G. Kirkwood
in The Journal of chemical physics
Titre de série : Journal of chemical physics, Vol.7 Titre : The skeletal modes of vibration of long chain molecules Type de document : articles et extraits Auteurs : J. G. Kirkwood, Auteur Année de publication : 1939 Importance : p.506-509 ISBN/ISSN/EAN : 0021-9606 Langues : Français (fre)
in The Journal of chemical physics
Journal of chemical physics, Vol.7. The skeletal modes of vibration of long chain molecules [articles et extraits] / J. G. Kirkwood, Auteur . - 1939 . - p.506-509.
ISSN : 0021-9606
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Code-barres Cote Support Localisation Section Disponibilité ART-7392-0 ART Document imprimé Bureau chercheur Bureau de OYHARCABAL Xabier Disponible Journal of chemical physics, Vol.101 No.6. The Kirchhoff elastic rod, the nonlinear Schrodinger Equation, and DNA supercoiling / Y. Shi
in The Journal of chemical physics
Titre de série : Journal of chemical physics, Vol.101 No.6 Titre : The Kirchhoff elastic rod, the nonlinear Schrodinger Equation, and DNA supercoiling Type de document : articles et extraits Auteurs : Y. Shi, Auteur ; J. E. Hearst, Auteur Année de publication : 1994 Importance : p.5186-5200 ISBN/ISSN/EAN : 0021-9606 Langues : Français (fre)
in The Journal of chemical physics
Journal of chemical physics, Vol.101 No.6. The Kirchhoff elastic rod, the nonlinear Schrodinger Equation, and DNA supercoiling [articles et extraits] / Y. Shi, Auteur ; J. E. Hearst, Auteur . - 1994 . - p.5186-5200.
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Code-barres Cote Support Localisation Section Disponibilité ART-7573-0 ART Document imprimé Bureau chercheur Bureau de VERGA Alberto Disponible Journal of chemical physics, Vol.103 No.13. Statics and dynamics of adsorbed polymer chains: A Monte Carlo simulation / P.-Y. Lai
in The Journal of chemical physics
Titre de série : Journal of chemical physics, Vol.103 No.13 Titre : Statics and dynamics of adsorbed polymer chains: A Monte Carlo simulation Type de document : articles et extraits Auteurs : P.-Y. Lai, Auteur Année de publication : 1995 Importance : p.5742-5755 ISBN/ISSN/EAN : 0021-9606 Langues : Français (fre)
in The Journal of chemical physics
Journal of chemical physics, Vol.103 No.13. Statics and dynamics of adsorbed polymer chains: A Monte Carlo simulation [articles et extraits] / P.-Y. Lai, Auteur . - 1995 . - p.5742-5755.
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Code-barres Cote Support Localisation Section Disponibilité ART-7574-0 ART Document imprimé Bureau chercheur Bureau de FRISCH Thomas Disponible Journal of chemical physics, Vol.115 No.2. On the ground state structure of monolayers on the (100) face of fcc crystals / A. Patrykiejew
in The Journal of chemical physics
Titre de série : Journal of chemical physics, Vol.115 No.2 Titre : On the ground state structure of monolayers on the (100) face of fcc crystals Type de document : articles et extraits Auteurs : A. Patrykiejew, Auteur ; K. Binder, Auteur ; S. Sokolowski, Auteur Année de publication : 2001 Importance : p.983-993 ISBN/ISSN/EAN : 00219606 Langues : Français (fre)
in The Journal of chemical physics
Journal of chemical physics, Vol.115 No.2. On the ground state structure of monolayers on the (100) face of fcc crystals [articles et extraits] / A. Patrykiejew, Auteur ; K. Binder, Auteur ; S. Sokolowski, Auteur . - 2001 . - p.983-993.
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Code-barres Cote Support Localisation Section Disponibilité ART-7756-0 ART Document imprimé Bureau chercheur Bureau de FRISCH Thomas Disponible Journal of chemical physics, Vol.117 No.1. Association of two semiflexible polyelectrolytes by interchain / I. et al. Borukhov
in The Journal of chemical physics
Titre de série : Journal of chemical physics, Vol.117 No.1 Titre : Association of two semiflexible polyelectrolytes by interchain Type de document : articles et extraits Auteurs : I. et al. Borukhov, Auteur Année de publication : 2002 Importance : p.462-480 Langues : Français (fre) Résumé : The aggregation of two highly charged semiflexible polyelectrolytes in the presence of generalized linkers is studied theoretically. This model provides insight into biological processes such as DNA condensation and F-actin self-assembly induced by either multivalent counterions or bundling proteins. The interplay between the bending rigidity of the chains and their electrostatic interactions leads to an effective interlinker interaction that is repulsive at large distances and attractive at short ones. We find a rounded phase transition from a dilute linker gas where the chains form large loops to a dense disordered linker fluid where the chains are almost parallel. The onset of chain pairing occurs as soon as the free energy of a pair of chains becomes lower than that of two isolated chains and is located well within the crossover regime between the two linker phases. Our main findings are confirmed by molecular dynamics simulations of two semiflexible charged chains in a mixture of monovalent and polyvalent counterions. This simple model allows us to recover qualitative features of experimental aggregation diagrams of DNA and F-actin and can also be used to study DNA denaturation
in The Journal of chemical physics
Journal of chemical physics, Vol.117 No.1. Association of two semiflexible polyelectrolytes by interchain [articles et extraits] / I. et al. Borukhov, Auteur . - 2002 . - p.462-480.
Langues : Français (fre)
Résumé : The aggregation of two highly charged semiflexible polyelectrolytes in the presence of generalized linkers is studied theoretically. This model provides insight into biological processes such as DNA condensation and F-actin self-assembly induced by either multivalent counterions or bundling proteins. The interplay between the bending rigidity of the chains and their electrostatic interactions leads to an effective interlinker interaction that is repulsive at large distances and attractive at short ones. We find a rounded phase transition from a dilute linker gas where the chains form large loops to a dense disordered linker fluid where the chains are almost parallel. The onset of chain pairing occurs as soon as the free energy of a pair of chains becomes lower than that of two isolated chains and is located well within the crossover regime between the two linker phases. Our main findings are confirmed by molecular dynamics simulations of two semiflexible charged chains in a mixture of monovalent and polyvalent counterions. This simple model allows us to recover qualitative features of experimental aggregation diagrams of DNA and F-actin and can also be used to study DNA denaturation
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Code-barres Cote Support Localisation Section Disponibilité ART-7895-0 ART Document imprimé Bureau chercheur Bureau de FRISCH Thomas Disponible Journal of chemical physics, Vol.80 No.9. Statistical ensembles and molecular dynamics studies of anisotropic solids / J. R. Ray
in The Journal of chemical physics
Titre de série : Journal of chemical physics, Vol.80 No.9 Titre : Statistical ensembles and molecular dynamics studies of anisotropic solids Type de document : articles et extraits Auteurs : J. R. Ray, Auteur ; A. Rahman, Auteur Année de publication : 1984 Importance : p.4423-4428 ISBN/ISSN/EAN : 0021-9606 Langues : Français (fre) Résumé : The authors present a general discussion of the isoenthalpic-isostress molecular dynamics theories of Andersen (1980) and Parrinello-Rahman (1983). The Parrinello-Rahman theory is shown to be applicable to the case of nonlinear elasticity if the reference state of zero strain is taken to be the state under zero stress; this brings the theory into accord with the thermodynamics of anisotropic solids for arbitrary values of the strain. For the isoenthalpic-isostress ensemble there is a microcanonical counterpart for which the authors present fluctuation formulas involving the constant strain specific heat, temperature coefficients of thermodynamic tension, and stiffness coefficients. The use of these various ensembles for the molecular dynamic study of polymorphic transitions in crystals is discussed
in The Journal of chemical physics
Journal of chemical physics, Vol.80 No.9. Statistical ensembles and molecular dynamics studies of anisotropic solids [articles et extraits] / J. R. Ray, Auteur ; A. Rahman, Auteur . - 1984 . - p.4423-4428.
ISSN : 0021-9606
Langues : Français (fre)
Résumé : The authors present a general discussion of the isoenthalpic-isostress molecular dynamics theories of Andersen (1980) and Parrinello-Rahman (1983). The Parrinello-Rahman theory is shown to be applicable to the case of nonlinear elasticity if the reference state of zero strain is taken to be the state under zero stress; this brings the theory into accord with the thermodynamics of anisotropic solids for arbitrary values of the strain. For the isoenthalpic-isostress ensemble there is a microcanonical counterpart for which the authors present fluctuation formulas involving the constant strain specific heat, temperature coefficients of thermodynamic tension, and stiffness coefficients. The use of these various ensembles for the molecular dynamic study of polymorphic transitions in crystals is discussed
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Code-barres Cote Support Localisation Section Disponibilité ART-8294-0 ART Document imprimé Bureau chercheur Bureau de FRISCH Thomas Disponible