Search Results - "Rougeau, Nathalie"

The sequence to hydrogenate coronene cations: A journey guided by magic numbers by Cazaux, Stéphanie, Boschman, Leon, Rougeau, Nathalie, Reitsma, Geert, Hoekstra, Ronnie, Teillet-Billy, Dominique, Morisset, Sabine, Spaans, Marco, Schlathölter, Thomas

“…The understanding of hydrogen attachment to carbonaceous surfaces is essential to a wide variety of research fields and technologies such as hydrogen storage…”
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Electronic Structure and Excited States of the Collision Reaction O(3P) + C2H4: A Multiconfigurational Perspective by Talotta, Francesco, Morisset, Sabine, Rougeau, Nathalie, Lauvergnat, David, Agostini, Federica

“…We present a study of the O­(3P) + C2H4 scattering reaction, a process that takes place in the interstellar medium and is of relevance in atmospheric chemistry…”
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Spin-Orbit Interactions in Ultrafast Molecular Processes by Talotta, Francesco, Morisset, Sabine, Rougeau, Nathalie, Lauvergnat, David, Agostini, Federica

“…We investigate spin-orbit interactions in ultrafast molecular processes employing the exact factorization of the electron-nuclear wave function. We revisit the…”
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Electronic Structure and Excited States of the Collision Reaction O( 3 P) + C 2 H 4 : A Multiconfigurational Perspective by Talotta, Francesco, Morisset, Sabine, Rougeau, Nathalie, Lauvergnat, David, Agostini, Federica

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Internal Conversion and Intersystem Crossing with the Exact Factorization by Talotta, Francesco, Morisset, Sabine, Rougeau, Nathalie, Lauvergnat, David, Agostini, Federica

“…We present a detailed derivation of the generalized coupled-trajectory mixed quantum-classical (G-CT-MQC) algorithm based on the exact-factorization equations…”
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A combined DFT/HREELS study of the vibrational modes of terphenylthiol SAMs by Houplin, Justine, Amiaud, Lionel, Sedzik, Thomas, Dablemont, Céline, Teillet-Billy, Dominique, Rougeau, Nathalie, Lafosse, Anne

“…Self-assembled monolayers of p -terphenylthiol (TPT, HS-(C 6 H 4 ) 2 -C 6 H 5 ) deposited onto gold can serve as model systems for aromatic lithography…”
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Enhanced H 2 catalytic formation on specific topological defects in interstellar graphenic dust grain models by Ivanovskaya, Viktoria V., Zobelli, Alberto, Teillet-Billy, Dominique, Rougeau, Nathalie, Sidis, Victor, Briddon, Patrick R.

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The sequence to hydrogenate coronene cations: A journey guided by magic numbers by Cazaux, Stéphanie, Boschman, Leon, Rougeau, Nathalie, Reitsma, Geert, Hoekstra, Ronnie, Teillet-Billy, Dominique, Morisset, Sabine, Spaans, Marco, Schlathölter, Thomas

“…Scientific Reports 6, Article number: 19835 (2016) The understanding of hydrogen attachment to carbonaceous surfaces is essential to a wide variety of research…”
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