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008 101118s2011 xxu| s |||| 0|eng d
020 _a9781441976017
_9978-1-4419-7601-7
040 _cMX-MeUAM
050 4 _aQD450-801
082 0 4 _a541.2
_223
100 1 _aKim, Hyungjun.
_eauthor.
245 1 0 _aMultiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems
_h[recurso electrónico] /
_cby Hyungjun Kim.
264 1 _aNew York, NY :
_bSpringer New York :
_bImprint: Springer,
_c2011.
300 _aXXVIII, 170 p.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5053
505 0 _a1 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.
520 _aThis 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.
650 0 _aChemistry.
650 0 _aNanochemistry.
650 0 _aBiochemistry.
650 1 4 _aChemistry.
650 2 4 _aTheoretical and Computational Chemistry.
650 2 4 _aNanochemistry.
650 2 4 _aBiochemistry, general.
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9781441976000
830 0 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5053
856 4 0 _zLibro electrónico
_uhttp://148.231.10.114:2048/login?url=http://link.springer.com/book/10.1007/978-1-4419-7601-7
596 _a19
942 _cLIBRO_ELEC
999 _c199854
_d199854