Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations
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Title
Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations
Authors
Keywords
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Journal
FARADAY DISCUSSIONS
Volume 177, Issue -, Pages 345-362
Publisher
Royal Society of Chemistry (RSC)
Online
2014-11-12
DOI
10.1039/c4fd00175c
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Note: Only part of the references are listed.- Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back
- (2015) Irene Conti et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2014) Benjamin P. Fingerhut et al. Journal of Chemical Theory and Computation
- Role of Excitonic Coupling and Charge-Transfer States in the Absorption and CD Spectra of Adenine-Based Oligonucleotides Investigated through QM/MM Simulations
- (2014) Vincent A. Spata et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Modelling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin
- (2014) Ivan Rivalta et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian
- (2014) Artur Nenov et al. Journal of Physical Chemistry Letters
- Base Stacking in Adenosine Dimers Revealed by Femtosecond Transient Absorption Spectroscopy
- (2014) Jinquan Chen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Microjoule-level, tunable sub-10 fs UV pulses by broadband sum-frequency generation
- (2014) Rocio Borrego Varillas et al. OPTICS LETTERS
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- (2014) Huabing Yin et al. PHYSICAL REVIEW LETTERS
- Efficient UV-induced charge separation and recombination in an 8-oxoguanine-containing dinucleotide
- (2014) Y. Zhang et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Charge separation and charge delocalization identified in long-living states of photoexcited DNA
- (2014) D. B. Bucher et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles
- (2014) Artur Nenov et al. Computational and Theoretical Chemistry
- Quantum-classical effective-modes dynamics of the ππ* → nπ* decay in 9H-adenine. A quadratic vibronic coupling model
- (2013) David Picconi et al. FARADAY DISCUSSIONS
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- (2013) Ivan Rivalta et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
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- (2013) Daniele Padula et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2013) Jinquan Chen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Two-dimensional Fourier transform spectroscopy in the ultraviolet with sub-20 fs pump pulses and 250–720 nm supercontinuum probe
- (2013) N Krebs et al. NEW JOURNAL OF PHYSICS
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- (2013) Felix Plasser et al. PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES
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- (2013) Andrea Christa Kneuttinger et al. PHOTOCHEMISTRY AND PHOTOBIOLOGY
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- (2012) David Picconi et al. JOURNAL OF CHEMICAL PHYSICS
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- (2012) Vicenta Sauri et al. Journal of Chemical Theory and Computation
- N–H Stretching Modes of Adenosine Monomer in Solution Studied by Ultrafast Nonlinear Infrared Spectroscopy and Ab Initio Calculations
- (2012) Christian Greve et al. JOURNAL OF PHYSICAL CHEMISTRY A
- N–H Stretching Excitations in Adenosine-Thymidine Base Pairs in Solution: Pair Geometries, Infrared Line Shapes, and Ultrafast Vibrational Dynamics
- (2012) Christian Greve et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Base-Stacking Disorder and Excited-State Dynamics in Single-Stranded Adenine Homo-oligonucleotides
- (2012) Charlene Su et al. JOURNAL OF PHYSICAL CHEMISTRY B
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- (2012) João Paulo Gobbo et al. JOURNAL OF PHYSICAL CHEMISTRY B
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- (2012) Brantley A. West et al. Journal of Physical Chemistry Letters
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- (2012) Ignacio Vayá et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2012) Raffaele Borrelli et al. MOLECULAR PHYSICS
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- (2012) Gerald Auböck et al. OPTICS LETTERS
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- (2011) Roberto Improta et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
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- (2011) Yuki Kurashige et al. JOURNAL OF CHEMICAL PHYSICS
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- (2011) Kimberly de La Harpe et al. Journal of Physical Chemistry Letters
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- (2010) Elisabetta Collini et al. NATURE
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- (2010) Dario Polli et al. NATURE
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- Two-Dimensional Ultrafast Fourier Transform Spectroscopy in the Deep Ultraviolet
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- DNA Excited-State Dynamics: From Single Bases to the Double Helix
- (2008) Chris T. Middleton et al. Annual Review of Physical Chemistry
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- Ground-State Recovery Following UV Excitation is Much Slower in G·C−DNA Duplexes and Hairpins Than in Mononucleotides
- (2008) Carlos E. Crespo-Hernández et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Getting to guanine: mechanism and dynamics of charge separation and charge recombination in DNA revisited
- (2008) Frederick D. Lewis et al. PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES
- UV excitation of single DNA and RNA strands produces high yields of exciplex states between two stacked bases
- (2008) T. Takaya et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Base Sequence and Higher-Order Structure Induce the Complex Excited-State Dynamics in DNA
- (2008) N. K. Schwalb et al. SCIENCE
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