Browsing by Author "Feixas Geronès, Ferran"
orcId Feixas Geronès, Ferran​ researcherId Feixas Geronès, Ferran​ scopusId Feixas Geronès, Ferran​ ​

Electron Localization Function at the Correlated Level: A Natural Orbital Formulation

A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity

All-metal aromatic clusters M4 2- (M = B, Al, and Ga). Are π-electrons distortive or not?

Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds

Analysis of chemical bonding and aromaticity from electronic delocalization descriptors

Thesis open access ​

​

Understanding conjugation and hyperconjugation from electronic delocalization measures

New approximation to the third-order density: application to the calculation of correlated multicenter indices

Interplay between R513 methylation and S516 phosphorylation of the cardiac voltage-gated sodium channel

Quantifying Aromaticity with Electron Delocalisation Measures

Three-center bonding analyzed from correlated and uncorrelated third-order reduced density matrices

La Doble vida de l’aconitasa: regulació dels nivells de ferro i del metabolisme

DFP open access ​

​

Octahedral aromaticity in 2S+1A1g X6q clusters (X = Li-C and Be-Si, S = 0-3, and q = −2 to +4)

Analysis of a Compound class with Triplet States Stabilized by Potentially Baird-Aromatic [10] Annulenyl Dicationic Rings

Estudi del procés d’unió entre la benzamidina i la tripsina mitjançant docking molecular i simulacions de dinàmica molecular

DFP open access ​

​

Estudi computacional de la flexibilitat de la proteïna FPPS i mecanisme d’inhibició al·lostèric

DFP open access ​

​

Exploring the validity of the Glidewell-Lloyd extension of Clar's π-sextet rule: assessment from polycyclic conjugated hydrocarbons

Electronic structure, chemical bonding, and electronic delocalization of organic and inorganic systems with three-dimensional or excited state aromaticity

Thesis open access ​

​

Estudi del mecanisme molecular de la interacció fàrmac-receptor en proteïnes p38 MAPK

DFP open access ​

​

Metal Cluster Electrides: a new Type of Molecular Electrides with Delocalised Polyattractor Character

Epoxide Hydrolase Conformational Heterogeneity for the Resolution of Bulky Pharmacologically Relevant Epoxide Substrates

Hidden Conformations in Aspergillus niger Monoamine Oxidase are Key for Catalytic Efficiency

Intrinsic enzymatic properties modulate the self-propulsion of micromotors

Comprehensive Characterization of the Self-Folding Cavitand Dynamics