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 | 249 | 2008 |
Quantifying aromaticity with electron delocalisation measures F Feixas, E Matito, J Poater, M Solà Chemical Society Reviews 44 (18), 6434-6451, 2015 | 227 | 2015 |
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 | 130 | 2014 |
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 | 109 | 2010 |
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 | 104 | 2007 |
Accelerated molecular dynamics simulations of protein folding Y Miao, F Feixas, C Eun, JA McCammon Journal of computational chemistry 36 (20), 1536-1549, 2015 | 103 | 2015 |
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 | 101 | 2010 |
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 | 93 | 2011 |
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 | 75 | 2010 |
Wiley Interdiscip F Feixas, E Matito, J Poater, M Solà Rev.: Comput. Mol. Sci 3, 105-122, 2013 | 70 | 2013 |
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 | 50 | 2011 |
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 | 45 | 2011 |
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 | 43 | 2007 |
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 | 43 | 2007 |
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 | 40 | 2017 |
Intrinsic enzymatic properties modulate the self-propulsion of micromotors X Arqué, A Romero-Rivera, F Feixas, T Patiño, S Osuna, S Sánchez Nature communications 10 (1), 1-12, 2019 | 39 | 2019 |
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 | 37 | 2008 |
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 | 36 | 2008 |
Chemical bonding and aromaticity in metalloporphyrins1,2 F Feixas, M Sola, M Swart Canadian Journal of Chemistry 87 (7), 1063-1073, 2009 | 34 | 2009 |
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 | 33 | 2010 |