Browsing by Author "Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca"
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An analysis of the isomerization energies of 1,2-/1,3-diazacyclobutadiene, pyrazole/imidazole, and pyridazine/pyrimidine with the turn-upside-down approach

Design of dinuclear copper species with carboranylcarboxylate ligands: study of their steric and electronic effects

Intramolecular [2+2+2] cycloaddition reactions of Yne-ene-yne and Yne-yne-ene enediynes catalysed by Rh I: Experimental and theoretical mechanistic studies

Sustainable dynamics of size-structured forest under climate change

Catalytic C–S, C–Se, and C–P Cross-Coupling Reactions Mediated by a CuI/CuIII Redox Cycle

Inferring the semantic properties of sentences by mining syntactic parse trees

Well-Defined Heterometallic and Unsymmetric M2O2 Complexes Arising from Binding and Activation of O2

Stereoselective Epoxidation of Alkenes with Hydrogen Peroxide using a Bipyrrolidine-Based Family of Manganese Complexes

Group strategy-proof social choice functions with binary ranges and arbitrary domains: Characterization results

Molecular structures of M2N22- (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm

Electrophilic Arene Hydroxylation and Phenol OH Oxidations Performed by an Unsymmetric μ-η1:η1-O2-Peroxo Dicopper(II) Complex

Simple and Sustainable Copper-O 2 Chemistry towards High-Value Products

Article embargoed access ​

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The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity

Information-theoretic approach for automated white matter fiber tracts reconstruction

Chemical bonding in supermolecular flowers

Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster

Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch

An Assessment of the Validity of the Maximum Hardness Principle in Chemical Reactions

Asknext: an agent protocol for social search

Dendritic phosphoramidite ligands for Rh-catalyzed [2+2+2] cycloaddition reactions: Unprecedented enhancement of enantiodiscrimination

Energy-saving light positioning using heuristic search

Properties of poly(3-halidethiophene)s

Description and solution of an unreported intrinsic bias in photon mapping density estimation with constant kernel

Role of hyperconjugation in the 1,2-shift reactivity of bicyclo[2.1.0]pentane and cyclopropane radical cations: A computational study