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1. Full Text SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings
by Richter, Martin and Marquetand, Philipp and González-Vázquez, Jesús and Sola, Ignacio and González, Leticia
Journal of chemical theory and computation, ISSN 1549-9618, 05/2011, Volume 7, Issue 5, pp. 1253 - 1258
Dynamics | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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2. Full Text Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine
by Richter, Martin and Marquetand, Philipp and González-Vázquez, Jesús and Sola, Ignacio and González, Leticia
The journal of physical chemistry letters, ISSN 1948-7185, 11/2012, Volume 3, Issue 21, pp. 3090 - 3095
Spectroscopy, Photochemistry, and Excited States | Physical Sciences | Chemistry | Materials Science | Nanoscience & Nanotechnology | Technology | Materials Science, Multidisciplinary | Science & Technology - Other Topics | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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3. Full Text Resonant photoionization of O-2 up to the fourth ionization threshold
by Marggi Poullain, Sonia and Klinker, Markus and Gonzalez-Vazquez, Jesus and Martin, Fernando
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 08/2019, Volume 21, Issue 30, pp. 16497 - 16504
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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4. Full Text Disentangling Spectral Phases of Interfering Autoionizing States from Attosecond Interferometric Measurements
by Barreau, Lou and Petersson, C. Leon M and Klinker, Markus and Camper, Antoine and Marante, Carlos and Gorman, Timothy and Kiesewetter, Dietrich and Argenti, Luca and Agostini, Pierre and Gonzalez-Vazquez, Jesus and Salieres, Pascal and DiMauro, Louis F and Martin, Fernando
Physical review letters, ISSN 0031-9007, 06/2019, Volume 122, Issue 25, pp. 253203 - 253203
Physics, Multidisciplinary | Physical Sciences | Physics | Science & Technology | Time dependence | Phases | Attosecond pulses | Helium | Electrons | Complexity | Interferometry | Wave packets | Index Medicus
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5. Full Text Electron Correlation in the Ionization Continuum of Molecules: Photoionization of N2 in the Vicinity of the Hopfield Series of Autoionizing States
by Klinker, Markus and Marante, Carlos and Argenti, Luca and González-Vázquez, Jesús and Martín, Fernando
The journal of physical chemistry letters, ISSN 1948-7185, 02/2018, Volume 9, Issue 4, pp. 756 - 762
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6. Full Text Hybrid-Basis Close-Coupling Interface to Quantum Chemistry Packages for the Treatment of Ionization Problems
by Marante, Carlos and Klinker, Markus and Corral, Inés and González-Vázquez, Jesús and Argenti, Luca and Martín, Fernando
Journal of chemical theory and computation, ISSN 1549-9618, 02/2017, Volume 13, Issue 2, pp. 499 - 514
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Molecular structure | Quantum chemistry | Ionization | Packages | Continuums | Electronics | Wave functions | Ion exchange
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7. Full Text Singlet and Triplet Excited‐State Dynamics Study of the Keto and Enol Tautomers of Cytosine
by Mai, Sebastian and Marquetand, Philipp and Richter, Martin and González‐Vázquez, Jesús and González, Leticia
Chemphyschem, ISSN 1439-4235, 09/2013, Volume 14, Issue 13, pp. 2920 - 2931
intersystem crossing | conical intersections | molecular dynamics | nucleobases | photochemistry | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Physical chemistry of induced reactions (with radiations, particles and ultrasonics) | General and physical chemistry | Exact sciences and technology | Photochemistry | Models, Molecular | Cytosine - chemistry | Isomerism | Photoionization | Pyrimidines | Helium | Spectrum analysis | Index Medicus
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8. Full Text Potential Energy Surfaces of Core-Hole and Shake-Up States for Dissociative Ionization Studies
by Corral, Inés and González-Vázquez, Jesús and Martín, Fernando
Journal of chemical theory and computation, ISSN 1549-9618, 04/2017, Volume 13, Issue 4, pp. 1723 - 1736
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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9. Full Text A Time‐Dependent Picture of the Ultrafast Deactivation of keto‐Cytosine Including Three‐State Conical Intersections
by González‐Vázquez, Jesús and González, Leticia
Chemphyschem, ISSN 1439-4235, 12/2010, Volume 11, Issue 17, pp. 3617 - 3624
ab initio calculations | conical intersections | excited states | nucleobases | time‐resolved spectroscopy | Time-resolved spectroscopy | Ab initio calculations | Excited states | Conical intersections | Nucleobases | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Atomic and molecular physics | Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) | Exact sciences and technology | Electronic structure of atoms, molecules and their ions: theory | Models, Molecular | Cytosine - analogs & derivatives | Quantum Theory | Spectrophotometry, Ultraviolet | Ketones - chemistry | Index Medicus
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10. Full Text Full-dimensional theoretical description of vibrationally resolved valence-shell photoionization of H2O
by Engin, Selma and González-Vázquez, Jesús and Maliyar, Gianluigi Grimaldi and Milosavljević, Aleksandar R and Ono, Taishi and Nandi, Saikat and Iablonskyi, Denys and Kooser, Kuno and Bozek, John D and Decleva, Piero and Kukk, Edwin and Ueda, Kiyoshi and Martín, Fernando
Structural dynamics (Melville, N.Y.), ISSN 2329-7778, 09/2019, Volume 6, Issue 5, pp. 54101 - 054101
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Water chemistry | Theory | Emission analysis | Spectra | Experiments | Couplings | Photoionization | Energy | Ionization | Spectrum analysis | Density functional theory | Hydrogen atoms | Photoelectrons | Vibrational states | Stretching | Methods | Synchrotron radiation | Symmetry
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11. Full Text Structural dynamics effects on the electronic predissociation of alkyl iodides
by Murillo-Sanchez, Marta L and Zanchet, Alexandre and Marggi Poullain, Sonia and Gonzalez-Vazquez, Jesus and Banares, Luis
Scientific reports, ISSN 2045-2322, 04/2020, Volume 10, Issue 1, pp. 6700 - 6700
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Adiabatic | Anisotropy | Iodine | Index Medicus
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12. Full Text Femtochemistry under scrutiny: Clocking state-resolved channels in the photodissociation of CH3I in the A-band
by Murillo-Sánchez, Marta L and González-Vázquez, Jesús and Corrales, María E and de Nalda, Rebeca and Martínez-Núñez, Emilio and García-Vela, Alberto and Bañares, Luis
The Journal of chemical physics, ISSN 0021-9606, 01/2020, Volume 152, Issue 1, pp. 14304 - 014304
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Potential energy | Femtosecond | Rydberg states | Surface chemistry | Soft x rays | Photodissociation | Femtochemistry | Photoelectron spectroscopy | Channels | Time lag | Electronic structure | Mathematical analysis | Ionization | Spectrum analysis | Qualitative analysis | Photoelectrons | Absorption spectra | Excitation | Vibrational states | Iodine | Index Medicus
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