About: Quasi-Particle Approach to 2D IR Spectra of Vibrational Excitons in Biomolecules; Molecular Dynamics versus Stochastic Simulation Protocols

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We summarized our developments of quasiparticle approaches for calculating 2D-IR spectra of e.g. liquid water, amylophybrils, and organic solute-solvent complexes. Two approaches molecular dynamics (MD-NEE) and phenomenologic stochastic models (SNEE) for modelling Hamiltonian fluctuations are revviewed. In the present paper, we generalized previous contributions into the unified approach which includes both MD-NEE and SNEE (previously treated quite separately) as special cases. We summarized our developments of quasiparticle approaches for calculating 2D-IR spectra of e.g. liquid water, amylophybrils, and organic solute-solvent complexes. Two approaches molecular dynamics (MD-NEE) and phenomenologic stochastic models (SNEE) for modelling Hamiltonian fluctuations are revviewed. In the present paper, we generalized previous contributions into the unified approach which includes both MD-NEE and SNEE (previously treated quite separately) as special cases. (en)
Title	Quasi-Particle Approach to 2D IR Spectra of Vibrational Excitons in Biomolecules; Molecular Dynamics versus Stochastic Simulation Protocols Quasi-Particle Approach to 2D IR Spectra of Vibrational Excitons in Biomolecules; Molecular Dynamics versus Stochastic Simulation Protocols (en)
skos:prefLabel	Quasi-Particle Approach to 2D IR Spectra of Vibrational Excitons in Biomolecules; Molecular Dynamics versus Stochastic Simulation Protocols Quasi-Particle Approach to 2D IR Spectra of Vibrational Excitons in Biomolecules; Molecular Dynamics versus Stochastic Simulation Protocols (en)
skos:notation	RIV/00216208:11320/13:10190122!RIV14-GA0-11320___
http://linked.open...avai/predkladatel	Matematicko-fyzikální fakulta
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GAP205/10/0989)
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Šanda, František
http://linked.open.../riv/druhVysledku	C - Kapitola v knize
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Karlova v Praze / Matematicko-fyzikální fakulta
http://linked.open...dnocenehoVysledku	101245
http://linked.open...ai/riv/idVysledku	RIV/00216208:11320/13:10190122
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	molecular dynamics; stochastic quantum dynamics; infrared spectroscopy; 2D spectroscopy (en)
http://linked.open.../riv/klicoveSlovo	infrared spectroscopy molecular dynamics 2D spectroscopy stochastic quantum dynamics
http://linked.open...ontrolniKodProRIV	[FF7909BC45AE]
http://linked.open...i/riv/mistoVydani	Boca Ranton, USA
http://linked.open...vEdiceCisloSvazku	Neuveden
http://linked.open...i/riv/nazevZdroje	Ultrafast Infrared Vibrational Spectroscopy
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...v/pocetStranKnihy	487 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Molecular Complexes as Open Quantum Systems: Delocalization, Decoherence, Dissipation, Photo-induced dynamics and Ultrafast Spectroscopy
http://linked.open...UplatneniVysledku	2013
http://linked.open...iv/tvurceVysledku	Mukamel, Shaul Šanda, František Cyril, Falvo
number of pages	36 (xsd:int)
http://purl.org/ne...btex#hasPublisher	CRC Press, Taylor & Francis Group
https://schema.org/isbn	978-1-4665-1013-5
http://localhost/t...ganizacniJednotka	11320

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