Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations.
about
Electronic coupling between photo-excited stacked bases in DNA and RNA strands with emphasis on the bright states initially populated.The interplay between neutral exciton and charge transfer states in single-strand polyadenine: a quantum dynamical investigation.Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers.Ultrafast excited-state dynamics of RNA and DNA C tracts.UV excitation of single DNA and RNA strands produces high yields of exciplex states between two stacked bases.Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate.Charge separation and charge delocalization identified in long-living states of photoexcited DNA.Progress and challenges in the calculation of electronic excited states.Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back.Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysis.Electronic excitation and structural relaxation of the adenine dinucleotide in gas phase and solution.Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: a joint theoretical and experimental study.Excitation Dynamics in Hetero-bichromophoric Calixarene Systems.Ultrafast photo-initiated molecular quantum dynamics in the DNA dinucleotide d(ApG) revealed by broadband transient absorption spectroscopy.Slow deactivation channels in UV-photoexcited adenine DNA.Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations.Optical absorption spectra and monomer interaction in polymers: Investigation of exciton coupling in DNA hairpins.Impact of DFT functionals on the predicted magnesium–DNA interaction: an ONIOM studyMonomeric adenine decay dynamics influenced by the DNA environmentHydrogen Bonding Regulates the Monomeric Nonradiative Decay of Adenine in DNA Strands
P2860
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P2860
Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Influence of base stacking on ...... nsity functional calculations.
@ast
Influence of base stacking on ...... nsity functional calculations.
@en
type
label
Influence of base stacking on ...... nsity functional calculations.
@ast
Influence of base stacking on ...... nsity functional calculations.
@en
prefLabel
Influence of base stacking on ...... nsity functional calculations.
@ast
Influence of base stacking on ...... nsity functional calculations.
@en
P2860
P356
P1476
Influence of base stacking on ...... ensity functional calculations
@en
P2093
P2860
P304
P356
10.1073/PNAS.0703298104
P407
P577
2007-06-01T00:00:00Z