Communication: Electronic UV-Vis transient spectra of the ·OH reaction products of uracil, thymine, cytosine, and 5,6-dihydrouracil by using the complete active space self-consistent field second-order perturbation (CASPT2//CASSCF) theory

Hydroxyl Ion Addition to One-Electron Oxidized Thymine: Unimolecular Interconversion of C5 to C6 OH-Adducts

(2013) Amitava Adhikary et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxidation of DNA Followed by Conformational Change after OH Radical Attack

(2012) Anna M. Nowicka et al.   ANALYTICAL CHEMISTRY

Reactivities of hydroxyl and perhydroxyl radicals toward cytosine and thymine: A comparative study

(2012) Amarjeet Yadav et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Oxidation Reactions of 2-Thiouracil: A Theoretical and Pulse Radiolysis Study

(2012) K. P. Prasanthkumar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Progress and Challenges in the Calculation of Electronic Excited States

(2011) Leticia González et al.   CHEMPHYSCHEM

Essential on the Photophysics and Photochemistry of the Indole Chromophore by Using a Totally Unconstrained Theoretical Approach

(2011) Angelo Giussani et al.   Journal of Chemical Theory and Computation

Hydroxyl Radical (OH•) Reaction with Guanine in an Aqueous Environment: A DFT Study

(2011) Anil Kumar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Radiation damage to DNA in DNA–protein complexes

(2011) M. Spotheim-Maurizot et al.   MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS

Direct observation of ultrafast-electron-transfer reactions unravels high effectiveness of reductive DNA damage

(2011) J. Nguyen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Theoretical study of the addition and abstraction reactions of hydroxyl radical with uracil

(2011) K.P. Prasanthkumar et al.   RADIATION PHYSICS AND CHEMISTRY

Multiconfiguration second-order perturbation theory approach to strong electron correlation in chemistry and photochemistry

(2011) Daniel Roca-Sanjuán et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Photophysics and photostability of adenine in aqueous solution: A theoretical study

(2010) Valdemir Ludwig et al.   CHEMICAL PHYSICS LETTERS

Oxidatively generated base damage to cellular DNA

(2010) Jean Cadet et al.   FREE RADICAL BIOLOGY AND MEDICINE

On the photoproduction of DNA/RNA cyclobutane pyrimidine dimers

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

Parallel implementation of the equation-of-motion coupled-cluster singles and doubles method and application for radical adducts of cytosine

(2009) Tomasz Kuś et al.   JOURNAL OF CHEMICAL PHYSICS

MOLCAS 7: The Next Generation

(2009) Francesco Aquilante et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Are the five natural DNA/RNA base monomers a good choice from natural selection?

(2009) Luis Serrano-Andrés et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS

DNA nucleobase properties and photoreactivity: Modeling environmental effects

(2009) Daniel Roca-Sanjuán et al.   PURE AND APPLIED CHEMISTRY

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

(2008) Marko Schreiber et al.   JOURNAL OF CHEMICAL PHYSICS