Ferran Feixas
Ferran Feixas
Institut de Química Computacional i Catàlisi (IQCC). University of Girona (Spain)
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On the performance of some aromaticity indices: a critical assessment using a test set
F Feixas, E Matito, J Poater, M Solà
Journal of computational chemistry 29 (10), 1543-1554, 2008
2412008
Quantifying aromaticity with electron delocalisation measures
F Feixas, E Matito, J Poater, M Solà
Chemical Society Reviews 44 (18), 6434-6451, 2015
2042015
Exploring the role of receptor flexibility in structure-based drug discovery
F Feixas, S Lindert, W Sinko, JA McCammon
Biophysical chemistry 186, 31-45, 2014
1212014
Electron localization function at the correlated level: a natural orbital formulation
F Feixas, E Matito, M Duran, M Solà, B Silvi
Journal of chemical theory and computation 6 (9), 2736-2742, 2010
1062010
Aromaticity of distorted benzene rings: exploring the validity of different indicators of aromaticity
F Feixas, E Matito, J Poater, M Sola
The Journal of Physical Chemistry A 111 (20), 4513-4521, 2007
1012007
A critical assessment of the performance of magnetic and electronic indices of aromaticity
M Solà, F Feixas, JOC Jiménez-Halla, E Matito, J Poater
Symmetry 2 (2), 1156-1179, 2010
982010
Accelerated molecular dynamics simulations of protein folding
Y Miao, F Feixas, C Eun, JA McCammon
Journal of computational chemistry 36 (20), 1536-1549, 2015
892015
Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds
F Feixas, J Vandenbussche, P Bultinck, E Matito, M Solà
Physical Chemistry Chemical Physics 13 (46), 20690-20703, 2011
862011
A test to evaluate the performance of aromaticity descriptors in all-metal and semimetal clusters. An appraisal of electronic and magnetic indicators of aromaticity
F Feixas, JOC Jiménez-Halla, E Matito, J Poater, M Sola
Journal Of Chemical Theory And Computation 6 (4), 1118-1130, 2010
692010
Wiley Interdiscip
F Feixas, E Matito, J Poater, M Solà
Rev.: Comput. Mol. Sci 3, 105-122, 2013
662013
Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character
F Feixas, E Matito, M Duran, J Poater, M Sola
Theoretical Chemistry Accounts 128 (4-6), 419-431, 2011
502011
6.3 Is the Aromaticity of the Benzene Ring in the (η 6− C6H6) Cr (CO) 3 Complex Larger than that of the Isolated Benzene Molecule?
F Feixas, JOC Jiménez-Halla, E Matito, J Poater, M Sola, J Pol
ANALYSIS OF CHEMICAL BONDING AND AROMATICITY FROM ELECTRONIC DELOCALIZATION …, 2007
432007
A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings
C Foroutan‐Nejad, S Shahbazian, F Feixas, P Rashidi‐Ranjbar, M Solà
Journal of computational chemistry 32 (11), 2422-2431, 2011
422011
Electron delocalization and aromaticity measures within the Hückel molecular orbital method
E Matito, F Feixas, M Sola
Journal of Molecular Structure: THEOCHEM 811 (1-3), 3-11, 2007
422007
Analysis of Hückel’s [4n + 2] Rule through Electronic Delocalization Measures
F Feixas, E Matito, M Solà, J Poater
The Journal of Physical Chemistry A 112 (50), 13231-13238, 2008
372008
Unraveling factors leading to efficient norbornadiene–quadricyclane molecular solar-thermal energy storage systems
K Jorner, A Dreos, R Emanuelsson, O El Bakouri, IF Galván, K Börjesson, ...
Journal of Materials Chemistry A 5 (24), 12369-12378, 2017
362017
Electronic States of o-Nitrobenzaldehyde: A Combined Experimental and Theoretical Study
V Leyva, I Corral, T Schmierer, B Heinz, F Feixas, A Migani, L Blancafort, ...
The Journal of Physical Chemistry A 112 (23), 5046-5053, 2008
362008
Patterns of π-electron delocalization in aromatic and antiaromatic organic compounds in the light of Hückel's 4 n+ 2 rule
F Feixas, E Matito, M Solà, J Poater
Physical Chemistry Chemical Physics 12 (26), 7126-7137, 2010
322010
Chemical bonding and aromaticity in metalloporphyrins1,2
F Feixas, M Sola, M Swart
Canadian Journal of Chemistry 87 (7), 1063-1073, 2009
322009
Ultrafast irreversible phototautomerization of o-nitrobenzaldehyde
A Migani, V Leyva, F Feixas, T Schmierer, P Gilch, I Corral, L González, ...
Chemical Communications 47 (22), 6383-6385, 2011
312011
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