Departament de Química

​
​
​
Discover
Author 
Subject 
Date Issued 
Type 
Language (ISO) 
Access conditions 
Funding Programme 
Project Acronym 
​
​
Jerarquia  ​
Collections in this community
​

Density Functional Investigation of the Interaction of H2O with Spinel Li1-xMn2O4 Surfaces: Implications for Aqueous Li-ion Batteries

Cage-size effects on the encapsulation of P2 by fullerenes

Aromaticity directs the excited-state properties of the host-guest complexes of nanohoops

γ-graphyne: a promising electron acceptor for organic photovoltaics

Application of SSIR Method for the Design of Fungicides

Multiwalled Carbon Nanotubes Embedded in a Polymeric Matrix as a New Material for Thin Film Microextraction (TFME) in Organic Pollutant Monitoring

Precise Control of the Site-Selective in Ruthenium-Catalyzed C-H Bond Amidations by Cyclic Amides as Powerful Directing Groups

Liquid Chromatography Fingerprint Analysis of Released Compounds in Plasma Samples of Stroke Patients after Thrombolytic Treatment

2(1H)-Pyrazinones from acyclic building blocks: methods of synthesis and further derivatizations

In the quest of Hückel–Hückel and Hückel–Baird double aromatic tropylium (tri)cation and anion derivatives

Three-centre electron sharing indices (3c-ESI) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes

Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity

Selective absorption of H2S and CO2 by azole based protic ionic liquids: A combined Density Functional Theory and Molecular Dynamic simulations study

Carboxylic Acid Directed γ-Lactonization of Unactivated Primary C-H Bonds Catalyzed by Mn Complexes: Application to Stereoselective Natural Product Diversification

Photoinduced electron transfer in host–guest complexes of double nanohoops

Lubricant hydrogenation over a functionalized clay-based Pd catalyst: A combined computational and experimental study

Estimating conformational heterogeneity of tryptophan synthase with a template-based Alphafold2 approach

A Novel Method for Dynamic Molecular Weight Distribution Determination in Organometallic Catalyzed Olefin Polymerizations

Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules

Article open access ​

​

An efficient initiator system containing AlCl3 and supported ionic-liquid for the synthesis of conventional grade polyisobutylene in mild conditions

X-ray fluorescence spectrometry for environmental analysis: Basic principles, instrumentation, applications and recent trends

Enzymatic Control over Reactive Intermediates Enables Direct Oxidation of Alkenes to Carbonyls by a P450 Iron-Oxo Species

Csp2–H Amination Reactions Mediated by Metastable Pseudo-Oh Masked Aryl-CoIII-nitrene Species

The hunter falls prey: photoinduced oxidation of C60 in inclusion complex with perfluorocycloparaphenylene