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List of works by Inés Corral

A comparative analysis of the UV/Vis absorption spectra of nitrobenzaldehydes

article

A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-nitrobenzaldehyde

article

An Experimental and Theoretical Investigation of Gas-Phase Reactions of Ca2+ with Glycine

scientific article published on 01 September 2006

An Insight into the Mechanism of the Axial Ligand Exchange Reaction in Boron Subphthalocyanine Macrocycles

scientific article published on 29 September 2014

An ab initio mechanism for efficient population of triplet states in cytotoxic sulfur substituted DNA bases: the case of 6-thioguanine

scientific article published on 16 January 2012

Annulated dinuclear metal-free and Zn(II) phthalocyanines: photophysical studies and quantum mechanical calculations

scientific article published on 26 June 2008

Beryllium-Based Anion Sponges: Close Relatives of Proton Sponges.

scientific article published on 21 October 2016

Beryllium-based fluorenes as efficient anion sponges

scientific article published on 17 August 2017

Can TD-DFT predict excited states in endoperoxides?

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

scientific article published on 2 December 2016

Density functional theory rationalization of the substituent effects in trifluoromethyl-pyridinol derivatives

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

article

Direct Access to Axially Substituted Subphthalocyanines from Trimethylsilyl-Protected Nucleophiles

scientific article published on 01 October 2015

Electronic and structural elements that regulate the excited-state dynamics in purine nucleobase derivatives.

scientific article published on 25 March 2015

Electronic states of o-nitrobenzaldehyde: a combined experimental and theoretical study

scientific article published on 21 May 2008

Electronic structure and lifetimes of GaX2+ (X = N, O, F) in the gas phase. Unraveling stability trends

scientific article published on 11 July 2011

Exergonic and Spontaneous Production of Radicals through Beryllium Bonds

scientific article

Four Plus Four State Degeneracies in the O−O Photolysis of Aromatic Endoperoxides

Four-state conical intersections: The nonradiative deactivation funnel connected to O–O homolysis in benzene endoperoxide

Hydrogen bonding in electronically excited states: a comparison between formic acid dimer and its mono-substituted thioderivatives

scientific article published on 31 August 2010

Identifying the low-lying electronic states of anthracene-9,10-endoperoxide

Intrastrand Photolesion Formation in Thio-Substituted DNA: A Case Study Including Single-Reference and Multireference Methods

scientific article published on 07 December 2020

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

scientific article published on 14 March 2018

On the existence and lifetimes of Cu2+ complexes with water, ammonia, and hydrogen cyanide

scientific article published on 01 July 2005

Ortho-Nitrobenzaldehyde 1:1 Water Complexes. The Influence of Solute Water Interactions in the Vertical Excited Spectrum

scientific article published in 2008

Oxygenation of the phenylhalocarbenes. Are they spin-allowed or spin-forbidden reactions?

scientific article published on 27 November 2011

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

scientific article

Preface

Super Strong Be-Be Bonds: Theoretical Insight into the Electronic Structure of Be-Be Complexes with Radical Ligands

scientific article published on 26 January 2018

The electronic excited states of a model organic endoperoxide: A comparison of TD-DFT and ab initio methods

article

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

scientific article published on 05 October 2016

Theoretical investigation of anthracene-9,10-endoperoxide vertical singlet and triplet excitation spectra

scientific article published on 01 September 2008

Time-resolved insight into the photosensitized generation of singlet oxygen in endoperoxides

scientific article published on 2 December 2014

Tracking the origin of photostability in purine nucleobases: the photophysics of 2-oxopurine

scientific article published on 12 June 2019

Ultrafast irreversible phototautomerization of o-nitrobenzaldehyde

scientific article published on 06 May 2011

Versatile Bottom-up Approach to Stapled π-Conjugated Helical Scaffolds: Synthesis and Chiroptical Properties of Cyclico-Phenylene Ethynylene Oligomers

scientific article published on 14 November 2012

Why Are the Ca2+and K+Binding Energies of Formaldehyde and Ammonia Reversed with Respect to Their Proton Affinities?

scientific article published on 01 August 2005

[MLn]2+ doubly charged systems: modeling, bonding, life times and unimolecular reactivity

scientific article published on 18 July 2011

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