Search Results - "Gorfinkiel, Jimena D."

Resonant Fragmentation of the Water Cation by Electron Impact: a Wave-Packet Study by Benito-Gómez, Ignacio, Méndez, Luis, Suárez, Jaime, Gorfinkiel, Jimena D, Rabadán, Ismanuel

“…We have investigated the dissociation of a resonant state that can be formed in low energy electron scattering from H O . We have chosen the second triplet…”
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A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0-100 eV by Costa, Filipe, Traoré-Dubuis, Ali, Álvarez, Lidia, Lozano, Ana I, Ren, Xueguang, Dorn, Alexander, Limão-Vieira, Paulo, Blanco, Francisco, Oller, Juan C, Muñoz, Antonio, García-Abenza, Adrián, Gorfinkiel, Jimena D, Barbosa, Alessandra S, Bettega, Marcio H F, Stokes, Peter, White, Ronald D, Jones, Darryl B, Brunger, Michael J, García, Gustavo

“…Electron scattering cross sections for pyridine in the energy range 0-100 eV, which we previously measured or calculated, have been critically compiled and…”
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Quantemol Electron Collisions (QEC): An Enhanced Expert System for Performing Electron Molecule Collision Calculations Using the R-Matrix Method by Cooper, Bridgette, Tudorovskaya, Maria, Mohr, Sebastian, O’Hare, Aran, Hanicinec, Martin, Dzarasova, Anna, Gorfinkiel, Jimena, Benda, Jakub, Mašín, Zdeněk, Al-Refaie, Ahmed, Knowles, Peter, Tennyson, Jonathan

“…Collisions of low energy electrons with molecules are important for understanding many aspects of the environment and technologies. Understanding the processes…”
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Evaluation of Recommended Cross Sections for the Simulation of Electron Tracks in Water by García-Abenza, Adrián, Lozano, Ana I., Oller, Juan C., Blanco, Francisco, Gorfinkiel, Jimena D., Limão-Vieira, Paulo, García, Gustavo

“…The accuracy of the most recent recommended cross sections dataset for electron scattering from gaseous H2O (J. Phys. Chem. Ref. Data 2021, 50, 023103) is…”
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Electron collisions with molecules and molecular clusters by Gorfinkiel, Jimena D.

“…State-of-the art computational studies of electron collisions with molecules and small molecular clusters are illustrated with results obtained from the…”
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R-matrix calculations for elastic electron and positron scattering from pyrazine: effect of the polarization description by Graves, Vincent, Gorfinkiel, Jimena D.

“…We present R-matrix calculations of electron and positron low energy scattering from the highly polarizable pyrazine molecule. We compare integral and…”
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Electron-impact rotational excitation of water by Faure, Alexandre, Gorfinkiel, Jimena D., Tennyson, Jonathan

“…Rotational excitation of H2O, HDO and D2O by thermal electron impact is studied using the molecular R-matrix method. Rate coefficients are obtained up to…”
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Cover Feature: Resonant Fragmentation of the Water Cation by Electron Impact: a Wave‐Packet Study (ChemPhysChem 19/2023) by Benito‐Gómez, Ignacio, Méndez, Luis, Suárez, Jaime, Gorfinkiel, Jimena D., Rabadán, Ismanuel

“…The Cover Feature illustrates the decay of a resonance state of the water molecule into a vibrationally excited water cation (autoionization) or to neutral…”
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Shape and Core-Excited Resonances in Thiophene by Loupas, Alexandra, Regeta, Khrystyna, Allan, Michael, Gorfinkiel, Jimena D

“…We present a comprehensive study of resonance formation in electron collisions with thiophene. Detailed calculations have been performed using the ab initio…”
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Interatomic Coulombic Electron Capture from first principles by Sisourat, Nicolas, Miteva, Tsveta, Gorfinkiel, Jimena D, Gokhberg, Kirill, Cederbaum, Lorenz S

“…Interatomic Coulombic electron capture (ICEC) is an environment-assisted process in which a free electron can efficiently attach to an ion, atom or molecule by…”
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Shape and core excited resonances in electron collisions with diazines by Mašín, Zdeněk, Gorfinkiel, Jimena D

“…We present a comprehensive ab-initio study of electron collisions with pyrazine, pyrimidine, and pyridazine. The emphasis is placed on the identification and…”
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Elastic and inelastic low-energy electron collisions with pyrazine by Mašín, Zdeněk, Gorfinkiel, Jimena D

“…We present results of ab-initio scattering calculations for electron collisions with pyrazine using the R-matrix method, carried out at various levels of…”
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Laser-Induced Electron Diffraction in Chiral Molecules by Rajak, Debobrata, Beauvarlet, Sandra, Kneller, Omer, Comby, Antoine, Cireasa, Raluca, Descamps, Dominique, Fabre, Baptiste, Gorfinkiel, Jimena D., Higuet, Julien, Petit, Stéphane, Rozen, Shaked, Ruf, Hartmut, Thiré, Nicolas, Blanchet, Valérie, Dudovich, Nirit, Pons, Bernard, Mairesse, Yann

“…Strong laser pulses enable probing molecules with their own electrons. The oscillating electric field tears electrons off a molecule, accelerates them, and…”
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Elastic and inelastic cross sections for low-energy electron collisions with pyrimidine by Mašín, Zdeněk, Gorfinkiel, Jimena D, Jones, Darryl B, Bellm, Susan M, Brunger, Michael J

“…We present theoretical elastic and electronic excitation cross sections and experimental electronic excitation cross sections for electron collisions with…”
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GTOBAS: fitting continuum functions with Gaussian-type orbitals by Faure, Alexandre, Gorfinkiel, Jimena D, Morgan, Lesley A, Tennyson, Jonathan

“…GTOBAS is a program for fitting Gaussian-type orbitals (GTOs) to Bessel and Coulomb functions over a finite range. The exponents of the GTOs are optimized…”
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Resonance formation in low energy electron scattering from uracil by Mašín, Zdeněk, Gorfinkiel, Jimena D.

“…We present detailed ab initio results for resonance formation in low energy electron scattering from uracil obtained with the R -matrix method. We identify a…”
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Electron scattering cross section calculations for polar molecules over a broad energy range by Sanz, A.G., Fuss, M.C., Blanco, F., Mašín, Zdeněk, Gorfinkiel, Jimena D., Carelli, F., Sebastianelli, F., Gianturco, F.A., García, G.

“…We report computational integral and differential cross sections for electron scattering by two different polar molecules, HCN and pyrimidine, over a broad…”
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Attosecond Chemistry Special Issue by Gorfinkiel, Jimena D., Martín, Fernando

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UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method by Mašín, Zdeněk, Benda, Jakub, Gorfinkiel, Jimena D., Harvey, Alex G., Tennyson, Jonathan

“…UKRmol+ is a new implementation of the time-independent UK R-matrix electron–molecule scattering code. Key features of the implementation are the use of…”
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reskit: A toolkit to determine the poles of an S-matrix by Bingham, Peter S., Gorfinkiel, Jimena D.

“…We present the python package reskit, developed to calculate the coefficients of an analytical continuation of the S-matrix of a physical system by means of…”
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