David Asturiol

Photophysics of the π,π* and n,π* States of Thymine: MS-CASPT2 Minimum-Energy Paths and CASSCF on-the-Fly Dynamics

David Asturiol, Benjamin Lasorne, Michael A. Robb et al. · The Journal of Physical Chemistry A · 2009 · 88 citations

Exploring the sloped-to-peaked S2/S1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations

David Asturiol, Benjamin Lasorne, Graham A. Worth et al. · Physical Chemistry Chemical Physics · 2010 · 88 citations

Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problem

David Asturiol, Miquel Duran, Pedro Salvador · The Journal of Chemical Physics · 2008 · 72 citations · Full text

Engineering, Other Aromatic Molecules, Physics +15

Intramolecular Basis Set Superposition Error Effects on the Planarity of DNA and RNA Nucleobases

David Asturiol, Miquel Duran, Pedro Salvador · Journal of Chemical Theory and Computation · 2009 · 24 citations

Ghost-orbital Calculation, Molecular Biology, Computational Chemistry +20

Benign Decay vs. Photolysis in the Photophysics and Photochemistry of 5-Bromouracil. A Computational Study

Monika Kobyłecka, Annapaola Migani, David Asturiol et al. · The Journal of Physical Chemistry A · 2009 · 22 citations