O
Olivier Parisel
Researcher at Pierre-and-Marie-Curie University
Publications - 41
Citations - 1313
Olivier Parisel is an academic researcher from Pierre-and-Marie-Curie University. The author has contributed to research in topics: Ab initio & Density functional theory. The author has an hindex of 20, co-authored 40 publications receiving 1274 citations. Previous affiliations of Olivier Parisel include University of Rouen & University of Paris.
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Comparative Study of Benzene···X (X = O2, N2, CO) Complexes Using Density Functional Theory: The Importance of an Accurate Exchange−Correlation Energy Density at High Reduced Density Gradients
TL;DR: In this paper, the authors investigated the reliability of several widely used density functional theory (DFT) functionals and concluded that extreme care must be taken in the choice of the functional since only those that behave properly at large and intermediate values of the reduced density gradient s give relevant results.
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Electronic and vibrational spectra of matrix isolated anthracene radical cations - Experimental and theoretical aspects
TL;DR: In this paper, the vibrational and visible/UV electronic absorption spectra of the anthracene cation, An(+), were studied experimentally, in argon matrices at 12 K, as well as theoretically, using ab initio calculations for vibrational modes and enhanced semi-empirical methods with configuration interaction for the electronic spectra.
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Electronic and Vibrational Spectra Of Matrix-Isolated Pyrene Radical Cations: Theoretical and Experimental Aspects
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Gas-Phase Folding of a Two-Residue Model Peptide Chain: On the Importance of an Interplay between Experiment and Theory
Eric Gloaguen,B. De Courcy,Jean-Philip Piquemal,Julien Pilmé,Olivier Parisel,Rodolphe Pollet,Himansu S. Biswal,F. Piuzzi,Benjamin Tardivel,Michel Broquier,Michel Mons +10 more
TL;DR: The experimentally observed coexistence of an extended form and a folded form in the supersonic expansion was found to result from comparable Gibbs free energies for the two species under the high-temperature conditions resulting from the laser desorption technique used to vaporize the molecules.