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List of works by Ferran Feixas

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

A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery

scientific article

A Test to Evaluate the Performance of Aromaticity Descriptors in All-Metal and Semimetal Clusters. An Appraisal of Electronic and Magnetic Indicators of Aromaticity

article by Ferran Feixas et al published 18 March 2010 in Journal of Chemical Theory and Computation

A dissected ring current model for assessing magnetic aromaticity: a general approach for both organic and inorganic rings.

scientific article

A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-nitrobenzaldehyde

article

Accelerated molecular dynamics simulations of protein folding

scientific article published on 12 June 2015

All-metal aromatic clusters M42− (M = B, Al, and Ga). Are π-electrons distortive or not? ⬇️

scientific article published on October 20, 2011

Analysis of Hückel’s [4n+ 2] Rule through Electronic Delocalization Measures†

scientific article published on 01 December 2008

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

scientific article published on 21 January 2016

Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character

Aromaticity of Distorted Benzene Rings: Exploring the Validity of Different Indicators of Aromaticity

scientific article published on 21 April 2007

Bonding Analysis of the [C2O4]2+Intermediate Formed in the Reaction of CO22+with Neutral CO2

scientific article published on 01 June 2010

Chemical bonding and aromaticity in metalloporphyrins,

article by Ferran Feixas et al published July 2009 in Canadian Journal of Chemistry

Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer's Disease

scientific article published on 10 March 2022

Domain Averaged Fermi Hole Analysis for Open-Shell Systems

scientific article published on 01 May 2009

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

scientific article published on 23 August 2010

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

scientific article published on 4 March 2011

Electron correlation effects in third-order densities

scientific article

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

scientific article published on 03 November 2011

Electron delocalization and aromaticity measures within the Hückel molecular orbital method

Electronic states of o-nitrobenzaldehyde: a combined experimental and theoretical study

scientific article published on 21 May 2008

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

scientific article published on 25 May 2018

Exploring the role of receptor flexibility in structure-based drug discovery

scientific article

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

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

scientific article published on 24 January 2019

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

scientific article

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

scientific article published on 17 April 2018

Metalloaromaticity

New Approximation to the Third-Order Density. Application to the Calculation of Correlated Multicenter Indices

scientific article published in August 2014

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

scientific article published on 01 April 2016

On the performance of some aromaticity indices: A critical assessment using a test set

scientific article published on 01 July 2008

Patterns of π-electron delocalization in aromatic and antiaromatic organic compounds in the light of Hückel's 4n + 2 rule

scientific article published on 18 May 2010

Peculiarities of Multiple Cr−Cr Bonding. Insights from the Analysis of Domain-Averaged Fermi Holes

scientific article published on 01 July 2009

Protein-directed crystalline 2D fullerene assemblies

scientific article published on 08 January 2020

Quantifying aromaticity with electron delocalisation measures

scientific article published on 10 April 2015

Rules of Aromaticity

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

Toward Bioelectronic Nanomaterials: Photoconductivity in Protein–Porphyrin Hybrids Wrapped around SWCNT

Ultrafast irreversible phototautomerization of o-nitrobenzaldehyde

scientific article published on 06 May 2011

Undecaprenyl diphosphate synthase inhibitors: antibacterial drug leads

scientific article

Understanding Conjugation and Hyperconjugation from Electronic Delocalization Measures ⬇️

scientific article published on September 21, 2011

Unraveling factors leading to efficient norbornadiene–quadricyclane molecular solar-thermal energy storage systems

article by Kjell Jorner et al published 2017 in Journal of Materials Chemistry A

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