Search Results - "Couto, Rafael C"

Deciphering Methylation Effects on S2(ππ) Internal Conversion in the Simplest Linear α,β-Unsaturated Carbonyl by Chakraborty, Pratip, Couto, Rafael C., List, Nanna H.

“…Chemical substituents can influence photodynamics by altering the location of critical points and the topography of the potential energy surfaces (electronic…”
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Selective gating to vibrational modes through resonant X-ray scattering by Couto, Rafael C., Cruz, Vinícius V., Ertan, Emelie, Eckert, Sebastian, Fondell, Mattis, Dantz, Marcus, Kennedy, Brian, Schmitt, Thorsten, Pietzsch, Annette, Guimarães, Freddy F., Ågren, Hans, Gel’mukhanov, Faris, Odelius, Michael, Kimberg, Victor, Föhlisch, Alexander

“…The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical…”
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Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering by Vaz da Cruz, Vinícius, Gel’mukhanov, Faris, Eckert, Sebastian, Iannuzzi, Marcella, Ertan, Emelie, Pietzsch, Annette, Couto, Rafael C., Niskanen, Johannes, Fondell, Mattis, Dantz, Marcus, Schmitt, Thorsten, Lu, Xingye, McNally, Daniel, Jay, Raphael M., Kimberg, Victor, Föhlisch, Alexander, Odelius, Michael

“…Local probes of the electronic ground state are essential for understanding hydrogen bonding in aqueous environments. When tuned to the dissociative…”
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Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L‑Edge X‑ray Absorption Spectra by Guo, Meiyuan, Källman, Erik, Pinjari, Rahul V, Couto, Rafael C, Kragh Sørensen, Lasse, Lindh, Roland, Pierloot, Kristine, Lundberg, Marcus

“…The capability of the multiconfigurational restricted active space approach to identify electronic structure from spectral fingerprints is explored by applying…”
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Symmetry breaking in core-valence double ionisation of allene by Ideböhn, Veronica, Linguerri, Roberto, Cornetta, Lucas M., Olsson, Emelie, Wallner, Måns, Squibb, Richard J., Couto, Rafael C., Karlsson, Leif, Nyman, Gunnar, Hochlaf, Majdi, Eland, John H. D., Ågren, Hans, Feifel, Raimund

“…Conventional electron spectroscopy is an established one-electron-at-the-time method for revealing the electronic structure and dynamics of either valence or…”
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Deciphering Methylation Effects on S 2 ( ππ ) Internal Conversion in the Simplest Linear α,β-Unsaturated Carbonyl by Chakraborty, Pratip, Couto, Rafael C, List, Nanna H

“…Chemical substituents can influence photodynamics by altering the location of critical points and the topography of the potential energy surfaces (electronic…”
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Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions by Delcey, Mickael G., Sørensen, Lasse Kragh, Vacher, Morgane, Couto, Rafael C., Lundberg, Marcus

“…Electronically excited states play important roles in many chemical reactions and spectroscopic techniques. In quantum chemistry, a common technique to solve…”
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Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering by Ignatova, Nina, Cruz, Vinícius V., Couto, Rafael C., Ertan, Emelie, Zimin, Andrey, Guimarães, Freddy F., Polyutov, Sergey, Ågren, Hans, Kimberg, Victor, Odelius, Michael, Gel’mukhanov, Faris

“…As is well established, the symmetry breaking by isotope substitution in the water molecule results in localisation of the vibrations along one of the two…”
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Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing by Couto, Rafael C., Guarise, Marco, Nicolaou, Alessandro, Jaouen, Nicolas, Chiuzbăian, Gheorghe S., Lüning, Jan, Ekholm, Victor, Rubensson, Jan-Erik, Såthe, Conny, Hennies, Franz, Kimberg, Victor, Guimarães, Freddy F., Agren, Hans, Gel’mukhanov, Faris, Journel, Loïc, Simon, Marc

“…The unique opportunity to study and control electron-nuclear quantum dynamics in coupled potentials offered by the resonant inelastic X-ray scattering (RIXS)…”
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Coupled electron-nuclear dynamics in resonant 1σ→2π x-ray Raman scattering of CO molecules by Couto, Rafael C., Guarise, Marco, Nicolaou, Alessandro, Jaouen, Nicolas, Chiuzbǎian, Gheorghe S., Lüning, Jan, Ekholm, Victor, Rubensson, Jan Erik, Såthe, Conny, Hennies, Franz, Guimarães, Freddy F., Ågren, Hans, Gel'Mukhanov, Faris, Journel, Loïc, Simon, Marc, Kimberg, Victor

“…We present a detailed experimental-theoretical analysis of O K-edge resonant 1σ-2π inelastic x-ray scattering (RIXS) from carbon monoxide with unprecedented…”
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