Time-dependent density functional theory molecular dynamics simulation of doubly charged uracil in gas phase

Ultrafast Damage Following Radiation-Induced Oxidation of Uracil in Aqueous Solution

(2013) Pablo López-Tarifa et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Time-dependent density functional theory study of charge transfer in collisions

(2012) Guillermo Avendaño-Franco et al.   THEORETICAL CHEMISTRY ACCOUNTS

Ultrafast Nonadiabatic Fragmentation Dynamics of Doubly Charged Uracil in a Gas Phase

(2011) P. López-Tarifa et al.   PHYSICAL REVIEW LETTERS

20–150-keV proton-impact-induced ionization of uracil: Fragmentation ratios and branching ratios for electron capture and direct ionization

(2010) J. Tabet et al.   PHYSICAL REVIEW A

Elementary Lesions in DNA Subunits: Electron, Hydrogen Atom, Proton, and Hydride Transfers

(2009) Richard H. Duncan Lyngdoh et al.   ACCOUNTS OF CHEMICAL RESEARCH

A study of the valence shell electronic structure of uracil and the methyluracils

(2008) D.M.P. Holland et al.   CHEMICAL PHYSICS

Time-Dependent Density Functional Theory Molecular Dynamics Simulations of Liquid Water Radiolysis

(2008) Ivano Tavernelli et al.   CHEMPHYSCHEM

The Energetics of Rearrangement and Water Elimination Reactions in the Radiolysis of the DNA Bases in Aqueous Solution (eaq−and·OH Attack): DFT Calculations

(2008) Sergej Naumov et al.   RADIATION RESEARCH

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE