Novel adenine/thymine photodimerization channels mapped by PCM/TD-DFT calculations on dApT and TpdA dinucleotides

Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases

(2016) Roberto Improta et al.   CHEMICAL REVIEWS

Disagreement Between the Structure of the dTpT Thymine Pair Determined by NMR and Molecular Dynamics Simulations Using Amber 14 Force Fields

(2016) Collins Nganou et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Excited State Pathways Leading to Formation of Adenine Dimers

(2016) Akos Banyasz et al.   Journal of Physical Chemistry Letters

Photoinduced long-lived charge transfer excited states in AT-DNA strands

(2016) Lara Martinez-Fernandez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Early Events of DNA Photodamage

(2015) Wolfgang J. Schreier et al.   Annual Review of Physical Chemistry

UV-Induced Proton Transfer between DNA Strands

(2015) Yuyuan Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

UV-induced DNA Damage: The Role of Electronic Excited States

(2015) Dimitra Markovitsi   PHOTOCHEMISTRY AND PHOTOBIOLOGY

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

Computational Reference Data for the Photochemistry of Cyclobutane Pyrimidine Dimers

(2014) Mario Barbatti   CHEMPHYSCHEM

Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study

(2014) Lluís Blancafort et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of C5-Methylation of Cytosine on the Photoreactivity of DNA: A Joint Experimental and Computational Study of TCG Trinucleotides

(2014) Luciana Esposito et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxidatively Generated Damage to Cellular DNA by UVB and UVA Radiation,

(2014) Jean Cadet et al.   PHOTOCHEMISTRY AND PHOTOBIOLOGY

Bonded Excimer Formation in π-Stacked 9-Methyladenine Dimers

(2013) Vincent A. Spata et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photoinduced Formation Mechanism of the Thymine–Thymine (6–4) Adduct

(2013) Angelo Giussani et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Tracking DNA Excited States by Picosecond-Time-Resolved Infrared Spectroscopy: Signature Band for a Charge-Transfer Excited State in Stacked Adenine–Thymine Systems

(2013) Gerard W. Doorley et al.   Journal of Physical Chemistry Letters

The variety of UV-induced pyrimidine dimeric photoproducts in DNA as shown by chromatographic quantification methods

(2013) Thierry Douki   PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES

On the Deactivation Mechanisms of Adenine–Thymine Base Pair

(2012) João Paulo Gobbo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Photophysics and Photochemistry of Thymine Deoxy-Dinucleotide in Water: A PCM/TD-DFT Quantum Mechanical Study

(2012) Roberto Improta   JOURNAL OF PHYSICAL CHEMISTRY B

Electronic Excited States Responsible for Dimer Formation upon UV Absorption Directly by Thymine Strands: Joint Experimental and Theoretical Study

(2012) Akos Banyasz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photoinduced Damage to Cellular DNA: Direct and Photosensitized Reactions†

(2012) Jean Cadet et al.   PHOTOCHEMISTRY AND PHOTOBIOLOGY

Solvent effects on electron-driven proton-transfer processes: adenine–thymine base pairs

(2012) Monika Dargiewicz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Mechanisms of UV Mutagenesis

(2011) Hironobu IKEHATA et al.   JOURNAL OF RADIATION RESEARCH

Proton-Coupled Electron Transfer in DNA on Formation of Radiation-Produced Ion Radicals

(2010) Anil Kumar et al.   CHEMICAL REVIEWS

The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study

(2010) Adélia J. A. Aquino et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

UV-Induced TA Photoproducts: Formation and Hydrolysis in Double-Stranded DNA

(2010) Saâdia Asgatay et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the photoproduction of DNA/RNA cyclobutane pyrimidine dimers

(2010) Israel González-Ramírez et al.   THEORETICAL CHEMISTRY ACCOUNTS

Thymine Dimerization in DNA Model Systems: Cyclobutane Photolesion Is Predominantly Formed via the Singlet Channel

(2009) Wolfgang J. Schreier et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Both Intra- and Interstrand Charge-Transfer Excited States in Aqueous B-DNA Are Present at Energies Comparable To, or Just Above, the1ππ* Excitonic Bright States

(2009) Adrian W. Lange et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Role of Adenine Excimers in the Photophysics of Oligonucleotides

(2009) Gloria Olaso-González et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Predicting Thymine Dimerization Yields from Molecular Dynamics Simulations

(2008) Yu Kay Law et al.   BIOPHYSICAL JOURNAL

Molecular Basis of DNA Photodimerization: Intrinsic Production of Cyclobutane Cytosine Dimers

(2008) Daniel Roca-Sanjuán et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY