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Statements

Subject Item
n2:RIV%2F00216208%3A11320%2F13%3A10190122%21RIV14-GA0-11320___
rdf:type
skos:Concept n12:Vysledek
dcterms: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.
dcterms: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
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
skos:notation
RIV/00216208:11320/13:10190122!RIV14-GA0-11320___
n12:predkladatel
n15:orjk%3A11320
n3:aktivita
n4:P n4:I
n3:aktivity
I, P(GAP205/10/0989)
n3:dodaniDat
n11:2014
n3:domaciTvurceVysledku
n18:8171866
n3:druhVysledku
n7:C
n3:duvernostUdaju
n20:S
n3:entitaPredkladatele
n16:predkladatel
n3:idSjednocenehoVysledku
101245
n3:idVysledku
RIV/00216208:11320/13:10190122
n3:jazykVysledku
n9:eng
n3:klicovaSlova
molecular dynamics; stochastic quantum dynamics; infrared spectroscopy; 2D spectroscopy
n3:klicoveSlovo
n5:molecular%20dynamics n5:infrared%20spectroscopy n5:2D%20spectroscopy n5:stochastic%20quantum%20dynamics
n3:kontrolniKodProRIV
[FF7909BC45AE]
n3:mistoVydani
Boca Ranton, USA
n3:nazevEdiceCisloSvazku
Neuveden
n3:nazevZdroje
Ultrafast Infrared Vibrational Spectroscopy
n3:obor
n21:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetStranKnihy
487
n3:pocetTvurcuVysledku
3
n3:projekt
n8:GAP205%2F10%2F0989
n3:rokUplatneniVysledku
n11:2013
n3:tvurceVysledku
Cyril, Falvo Mukamel, Shaul Šanda, František
s:numberOfPages
36
n19:hasPublisher
CRC Press, Taylor & Francis Group
n10:isbn
978-1-4665-1013-5
n17:organizacniJednotka
11320