Browsing by Author "Ministerio de Educación y Ciencia (Espanya)"
​ ​ ​ ​

Aromaticity measures from Fuzzy-atom Bond Orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes

Regiospecific C-H bond activation: Reversible H/D exchange promoted by CuI complexes with triazamacrocyclic ligands

Simulation of photoelectron spectra with anharmonicity fully included: application to the X2A2 <- X1A1 band of furan

Fast O2 Binding at Dicopper Complexes Containing Schiff-Base Dinucleating Ligands

Chiral manganese complexes with pinene appended tetradentate ligands as stereoselective epoxidation catalysts

Alkane hydroxylation by a nonheme iron catalyst that challenges the heme paradigm for oxygenase action

Buckycatcher. A New Opportunity for Charge-Transfer Mediation?

Obscurance-based Volume Rendering Framework

Seasonal variation in transcript abundance in cork tissue analyzed by real time RT-PCR

Distinct Unfolding and Refolding Pathways of Ribonuclease A Revealed by Heating and Cooling Temperature Jumps

Similarity-based exploded views

Destabilizing Mutations Alter the Hydrogen Exchange Mechanism in Ribonuclease A

Importance of the basis set for the spin-state energetics of iron complexes

Fast Inverse Reflector Design (FIRD)

A new all-round density functional based on spin states and SN2 barriers

Assessing the distribution of the Argentine ant using physiological data

Synergistic effects of the membrane actions of cecropin-melittin antimicrobial hybrid peptide BP100

From introduction to equilibrium: Reconstructing the invasive pathways of the Argentine ant in a Mediterranean region

Geodynamical processes in the channel connecting the two lobes of the Large Aral Sea

Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes

Theoretical study of the hydroxylation of phenols mediated by an end-on bound superoxo copper(II) complex

Theoretical study of the hydroxylation of phenolates by the Cu2O2(N,N'-dimethylethylendiamine)22+ complex

Contribution of microbial and invertebrate communities to leaf litter colonization in a Mediterranean stream

Olefin-Dependent Discrimination Between Two Nonheme HO-FeV=O Tautomeric Species in Catalytic H2O2 Epoxidations