about
Innovative Poly(Ionic Liquid)s by the Polymerization of Deep Eutectic Monomers.Aluminium in biological environments: a computational approach.Design of new disulfide-based organic compounds for the improvement of self-healing materials.On the Termination Mechanism in the Radical Polymerization of Acrylates.Electronic structure and bonding in heteronuclear dimers of V, Cr, Mo, and W: a CASSCF/CASPT2 study.Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C-C and O-O Homolytic Bond Cleavage in Selected Molecules.Performance of PNOF6 for Hydrogen Abstraction Reactions.A natural orbital functional for multiconfigurational states.Electronic spectroscopy and electronic structure of diatomic IrSi.Quantum chemical study of the reactions between Pd+/Pt+ and H2O/H2S.The natural orbital functional theory of the bonding in Cr2, Mo2 and W2.Toward an understanding of the hydrogenation reaction of MO2 gas-phase clusters (M = Ti, Zr, and Hf).An ab initio theoretical study of the electronic structure of UO2(+) and [UO2(CO3)3]5-.π⋅⋅⋅H+ ⋅⋅⋅π Hydrogen Bonds and Their Lithium and Gold Analogues: MP2 and CASPT2 Calculations.Computational study of Be2 using Piris natural orbital functionals.Quantum chemical study of 4f-->5d excitations of trivalent lanthanide ions doped in the cubic elpasolite Cs2NaYCl6. Ce3+ to Tb3+.Theoretical design of conjugated diradicaloids as singlet fission sensitizers: quinones and methylene derivatives.Sulfenamides as Building Blocks for Efficient Disulfide-Based Self-Healing Materials. A Quantum Chemical Study.Dihydrogen bond interactions as a result of H2 cleavage at Cu, Ag and Au centres.Complete vs Restricted Active Space Perturbation Theory Calculation of the Cr2 Potential Energy Surface.The Electronic Structure of the Al3−Anion: Is it Aromatic?Molecules with High Bond Orders and Ultrashort Bond Lengths: CrU, MoU, and WUQuantum chemical study of the catalytic activation of methane by copper oxide and copper hydroxide cationsA computational study on the intriguing mechanisms of the gas-phase thermal activation of methane by bare [Ni(H)(OH)]+Pro-oxidant activity of aluminum: Promoting the Fenton reaction by reducing Fe(III) to Fe(II)Diradicals and Diradicaloids in Natural Orbital Functional TheoryHomolytic molecular dissociation in natural orbital functional theoryNatural Orbital Functional Theory and Reactivity Studies of Diradical Rearrangements: Ethylene Torsion as a Case StudyPro-oxidant Activity of Aluminum: Stabilization of the Aluminum Superoxide Radical IonDiselenide Bonds as an Alternative to Outperform the Efficiency of Disulfides in Self-Healing MaterialsThe role of non-covalent interactions in the self-healing mechanism of disulfide-based polymersExperimental and computational studies of ring-opening polymerization of ethylene brassylate macrolactone and copolymerization with ε-caprolactone and TBD-guanidine organic catalystOrganocatalyzed Synthesis of Aliphatic Polyesters from Ethylene Brassylate: A Cheap and Renewable MacrolactonePrediction of pressure-induced redshift of f1-->d(t2g)1 excitations in Cs2NaYCl6:Ce3+ and its connection with bond-length shorteningDetailed interpretation of the 5f-6d absorption spectrum of U3+ in Cs2NaYCl6 and high pressure effects based on an ab initio simulationCharge transfer in uranyl(VI) halides [UO2X4]2- (X = F, Cl, Br, and I). A quantum chemical study of the absorption spectraPerovskite Solar Cells Based on Oligotriarylamine Hexaarylbenzene as Hole-Transporting MaterialsEffect of Molecular Structure in the Chain Mobility of Dichalcogenide-Based Polymers with Self-Healing Capacity
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description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Fernando Ruipérez
@ast
Fernando Ruipérez
@en
Fernando Ruipérez
@es
Fernando Ruipérez
@nl
Fernando Ruipérez
@sl
type
label
Fernando Ruipérez
@ast
Fernando Ruipérez
@en
Fernando Ruipérez
@es
Fernando Ruipérez
@nl
Fernando Ruipérez
@sl
prefLabel
Fernando Ruipérez
@ast
Fernando Ruipérez
@en
Fernando Ruipérez
@es
Fernando Ruipérez
@nl
Fernando Ruipérez
@sl
P106
P31
P496
0000-0002-5585-245X