Departament de Química

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Jerarquia  ​
Collections in this community
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The Roses Ocean and Human Health Chair: A New Way to Engage the Public in Oceans and Human Health Challenges

Mechanism of the Facile Nitrous Oxide fixation by Homogeneous Ruthenium Hydride Pincer Catalysts

MOF Encapsulation of Ru Olefin Metathesis Catalysts to Block Catalyst Decomposition

Substituted adenine quartets: interplay between substituent effect, hydrogen bonding and aromaticity

Investigation of Volatiles in Cork Samples Using Chromatographic Data and the Superposing Significant Interaction Rules (SSIR) Chemometric Tool

Nido-cage...π-bond: A New Non-Covalent InteractionCage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications

A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities

Analysis of the electronic delocalization in some B12´s isoelectronic analogues doped with beryllium and/or carbon

Too Persistent to Give Up: Aromaticity in Boron Clusters Survives Radical Structural Changes

Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems

Cyclization reactions for the functionalization of fullerenes: experimental and theoretical studies

Thesis open access ​

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Open-Circuit Voltage of Organic Photovoltaics: A Time-Dependent and Unrestricted DFT Study in a P3HT/PCBM Complex

Do Carbon Nano‐onions Behave as Nanoscopic Faraday Cages? A Comparison of the Reactivity of C60, C240, C60@C240, Li+@C60, Li+@C240, and Li+@C60@C240

Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals

Thesis open access ​

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Can We Safely Obtain Formal Oxidation States from Centroids of Localized Orbitals?

Cyclo[18]carbon: The smallest all-carbon electron acceptor

Enantioselective C-H Lactonization of Unactivated Methylenes Directed by Carboxylic Acids

Lewis versus Brønsted Acid Activation of a Mn(IV) Catalyst for Alkene Oxidation

A Unified Electro- and Photocatalytic CO2 to CO Reduction Mechanism with Aminopyridine Cobalt Complexes

Computational NMR spectra of o-benzyne and stable guests and their hemicarceplexes

EU Horizon 2020 Research for A Sustainable Future: INNOQUA—A Nature-Based Sanitation Solution

Tuning the strength of the resonance-assisted hydrogen bond in acenes and phenacenes with two o-hydroxyaldehyde groups: the importance of topology

Photoinduced electron transfer in multi-chromophore system: unusual environmental effects in fullerene-Zn-porphyrin-BODIPY triad

Apunts de Ciència: Ciència i moda

Article open access ​

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