Ines Corral - Dissemin

All papers authored by Ines Corral

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2019 Neus Aguilera-Porta, Giovanni Granucci, Jordi Munoz-Muriedas, Inés Corral

Unveiling the photophysics of thiourea from CASPT2/CASSCF potential energy surfaces and singlet/triplet excited state molecular dynamics simulations

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Martina De Vetta, Inés Corral

Insight into the optical properties of meso-pentafluorophenyl(PFP)-BODIPY: An attractive platform for functionalization of BODIPY dyes

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M. Richter, F. Bouakline, J. González-Vázquez, L. M. nez-Fernández, I. Corral

, S. Patchkovskii, F. Morales, M. Ivanov, F. Martín, O. Smirnova

Sub-femtosecond control at conical intersections

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2018 Christopher Robertson

, Jesús González-Vázquez, Ines Corral

, Sergio Díaz-Tendero, Cristina Díaz

Nonadiabatic scattering of NO off Au3 clusters: A simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions

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Oriana Brea

, Alberto Luna, Cristina Díaz

, Inés Corral

Molecular Modelling of the H2 -Adsorptive Properties of Tetrazolate-Based Metal−Organic Frameworks: From the Cluster Approach to Periodic Simulations

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2017 Inés Corral

, Jesús González-Vázquez

, Fernando Martín

Potential Energy Surfaces of Core-Hole and Shake-Up States for Dissociative Ionization Studies

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Lara Martínez-Fernández

, Giovanni Granucci

, Marvin Pollum, Carlos E. Crespo-Hernández, Maurizio Persico

, Inés Corral

Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs

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Carlos Marante, Markus Klinker, Inés Corral

, Jesús González-Vázquez

, Luca Argenti, Fernando Martín

Hybrid-Basis Close-Coupling Interface to Quantum Chemistry Packages for the Treatment of Ionization Problems

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M. Merced Montero-Campillo

, Inés Corral

, Otilia Mó

, Manuel Yáñez

, Ibon Alkorta

, José Elguero

Beryllium-based fluorenes as efficient anion sponges

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This paper is made freely available by the publisher.

2016 Oriana Brea, Inés Corral

, Otilia Mó

, Manuel Yáñez

, Ibon Alkorta

, José Elguero

Beryllium-Based Anion Sponges: Close Relatives of Proton Sponges

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Sebastian Mai, Marvin Pollum, Lara Martínez-Fernández, Nicholas Dunn, Philipp Marquetand

, Inés Corral

, Carlos E. Crespo-Hernández, Leticia González

The origin of efficient triplet state population in sulfur-substituted nucleobases

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Oriana Brea, Ibon Alkorta, Otilia Mó

, Manuel Yáñez

, José Elguero, Inés Corral

Exergonic and Spontaneous Production of Radicals through Beryllium Bonds

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2015 Maria Richter, Foudhil Bouakline, Jesús González-Vázquez, Lara Martínez-Fernández, Inés Corral

, Serguei Patchkovskii, Felipe Morales, Misha Ivanov, Fernando Martín

, Olga Smirnova

Sub-laser-cycle control of coupled electron–nuclear dynamics at a conical intersection

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Julia Guilleme, Lara Martínez-Fernández, Inés Corral

, Manuel Yáñez

, David González-Rodríguez, Tomas Torres

Direct Access to Axially Substituted Subphthalocyanines from Trimethylsilyl-Protected Nucleophiles

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Selma Engin, Jesús González-Vázquez, Inés Corral

, Alicia Palacios, David Ayuso, Piero Decleva, Fernando Martín

Excitation of vibrational modes in the ionization of water molecule by XUV/X-ray radiation

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Carlos Marante, Jesús González, Inés Corral

, Markus Klinker, Luca Argenti

, Fernando Martín

Merging quantum chemistry packages with B-splines for the multichannel scattering problem

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Jesús González-Vázquez, Markus Klinker, Carlos Marante, Luca Argenti

, Inés Corral

, Fernando Martín

Describing ionization of small molecules with a Gaussian and B-Splines Mixed Basis (GABS)

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Inés Corral

, Jesús González-Vázquez, Fernando Martín

An ab initio multiconfigurational description of core hole and shake up excited states in small molecules

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Javier Troyano, Inés Corral

, Oscar Castillo

, Félix Zamora, Rubén Mas-Ballesté

, Salomé Delgado

S-S Bond Activation in Multi-Copper Aggregates Containing Perthiocarboxylato Ligands

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Delia Miguel, Sara P. Morcillo

, Ana Martín-Lasanta, Noelia Fuentes, Lara Martínez-Fernández, Inés Corral

, Maria J. Ruedas Rama, Diego J. Cárdenas, Luis Álvarez de Cienfuegos, Angel Orte, Juan M. Cuerva

Development of a New Dual Polarity and Viscosity Probe Based on the Foldamer Concept

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All papers authored by Ines Corral