Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems [recurso electrónico] / by Hyungjun Kim.

Por: Kim, Hyungjun [author.]Colaborador(es): SpringerLink (Online service)Tipo de material: TextoTextoSeries Springer Theses, Recognizing Outstanding Ph.D. ResearchEditor: New York, NY : Springer New York : Imprint: Springer, 2011Descripción: XXVIII, 170 p. online resourceTipo de contenido: text Tipo de medio: computer Tipo de portador: online resourceISBN: 9781441976017Tema(s): Chemistry | Nanochemistry | Biochemistry | Chemistry | Theoretical and Computational Chemistry | Nanochemistry | Biochemistry, generalFormatos físicos adicionales: Printed edition:: Sin títuloClasificación CDD: 541.2 Clasificación LoC:QD450-801Recursos en línea: Libro electrónicoTexto
Contenidos:
1 Introduction -- 2 Negative Differential Resistance of Oligo (Phenylene Ethynylene) Self-Assembled -- Monolayer Systems: The Electric Field Induced Conformational Change Mechanism -- 3 Free Energy Barrier for Molecular Motions in Bistable [2]Rotaxane Molecular -- Electronic Devices -- 4 Sodium Diffusion through Aluminum-Doped Zeolite BEA System: Effect of Water -- Solvation -- 5 Experimental and Theoretical Investigation into the Correlation between Mass -- and Ion Mobility for Choline and Other Ammonium Cations in N2 -- 6 Structural Characterization of Unsaturated Phospholipids Using Traveling Wave.-Ion Mobility Spectrometry -- 7 Interfacial Reactions of Ozone with Lipids and Proteins in a Model Lung Surfactant.-System -- 8 Appendix.
En: Springer eBooksResumen: This volume develops multiscale and multiphysics simulation methods to understand nano- and bio-systems by overcoming the limitations of time- and length-scales. Here the key issue is to extend current computational simulation methods to be useful for providing microscopic understanding of complex experimental systems. This volume discusses the multiscale simulation approaches in nanoscale metal-insulator-metal junction, molecular memory, ionic transport in zeolite based fuel cell systems, dynamics of biomolecular ions, and model lung system. Based on the cases discussed here, the author suggests various systematic strategies to overcome the limitations in time- and length-scales of the traditional monoscale approaches.
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Tipo de ítem Biblioteca actual Colección Signatura Copia número Estado Fecha de vencimiento Código de barras
Libro Electrónico Biblioteca Electrónica
Colección de Libros Electrónicos QD450 -801 (Browse shelf(Abre debajo)) 1 No para préstamo 371974-2001

1 Introduction -- 2 Negative Differential Resistance of Oligo (Phenylene Ethynylene) Self-Assembled -- Monolayer Systems: The Electric Field Induced Conformational Change Mechanism -- 3 Free Energy Barrier for Molecular Motions in Bistable [2]Rotaxane Molecular -- Electronic Devices -- 4 Sodium Diffusion through Aluminum-Doped Zeolite BEA System: Effect of Water -- Solvation -- 5 Experimental and Theoretical Investigation into the Correlation between Mass -- and Ion Mobility for Choline and Other Ammonium Cations in N2 -- 6 Structural Characterization of Unsaturated Phospholipids Using Traveling Wave.-Ion Mobility Spectrometry -- 7 Interfacial Reactions of Ozone with Lipids and Proteins in a Model Lung Surfactant.-System -- 8 Appendix.

This volume develops multiscale and multiphysics simulation methods to understand nano- and bio-systems by overcoming the limitations of time- and length-scales. Here the key issue is to extend current computational simulation methods to be useful for providing microscopic understanding of complex experimental systems. This volume discusses the multiscale simulation approaches in nanoscale metal-insulator-metal junction, molecular memory, ionic transport in zeolite based fuel cell systems, dynamics of biomolecular ions, and model lung system. Based on the cases discussed here, the author suggests various systematic strategies to overcome the limitations in time- and length-scales of the traditional monoscale approaches.

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