Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches J Poater, M Duran, M Sola, B Silvi Chemical reviews 105 (10), 3911-3947, 2005 | 782 | 2005 |
The delocalization index as an electronic aromaticity criterion: application to a series of planar polycyclic aromatic hydrocarbons J Poater, X Fradera, M Duran, M Solà Chemistry–A European Journal 9 (2), 400-406, 2003 | 511 | 2003 |
Hydrogen–hydrogen bonding in planar biphenyl, predicted by atoms‐in‐molecules theory, does not exist J Poater, M Solà, FM Bickelhaupt Chemistry–A European Journal 12 (10), 2889-2895, 2006 | 415 | 2006 |
Quantifying aromaticity with electron delocalisation measures F Feixas, E Matito, J Poater, M Solà Chemical Society Reviews 44 (18), 6434-6451, 2015 | 389 | 2015 |
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 | 313 | 2008 |
π Aromaticity and three‐dimensional aromaticity: two sides of the same coin? J Poater, M Solà, C Viñas, F Teixidor Angewandte Chemie 126 (45), 12387-12391, 2014 | 291 | 2014 |
A model of the chemical bond must be rooted in quantum mechanics, provide insight, and possess predictive power J Poater, M Solà, FM Bickelhaupt Chemistry–A European Journal 12 (10), 2902-2905, 2006 | 264 | 2006 |
An experimental comparison of chemical traits and litter decomposition rates in a diverse range of subarctic bryophyte, lichen and vascular plant species SI Lang, JHC Cornelissen, T Klahn, RSP Van Logtestijn, R Broekman, ... Journal of Ecology 97 (5), 886-900, 2009 | 261 | 2009 |
The calculation of electron localization and delocalization indices at the Hartree–Fock, density functional and post-Hartree–Fock levels of theory J Poater, M Solà, M Duran, X Fradera Theoretical Chemistry Accounts 107, 362-371, 2002 | 260* | 2002 |
Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9) G Portella, J Poater, JM Bofill, P Alemany, M Sola The Journal of organic chemistry 70 (7), 2509-2521, 2005 | 254 | 2005 |
Polycyclic benzenoids: why kinked is more stable than straight J Poater, R Visser, M Sola, FM Bickelhaupt The Journal of organic chemistry 72 (4), 1134-1142, 2007 | 239 | 2007 |
Electron-pairing analysis from localization and delocalization indices in the framework of the atoms-in-molecules theory X Fradera, J Poater, S Simon, M Duran, M Solà Theoretical Chemistry Accounts 108, 214-224, 2002 | 218 | 2002 |
Relation between the substituent effect and aromaticity TM Krygowski, K Ejsmont, BT Stepień, MK Cyrański, J Poater, M Sola The Journal of Organic Chemistry 69 (20), 6634-6640, 2004 | 206 | 2004 |
Comparison of the AIM delocalization index and the mayer and fuzzy atom bond orders E Matito, J Poater, M Solà, M Duran, P Salvador The Journal of Physical Chemistry A 109 (43), 9904-9910, 2005 | 198 | 2005 |
Assessment of Clar's aromatic π‐sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity G Portella, J Poater, M Sola Journal of physical organic chemistry 18 (8), 785-791, 2005 | 189 | 2005 |
Too persistent to give up: Aromaticity in boron clusters survives radical structural changes J Poater, C Viñas, I Bennour, S Escayola, M Solà, F Teixidor Journal of the American Chemical Society 142 (20), 9396-9407, 2020 | 163 | 2020 |
An insight into the local aromaticities of polycyclic aromatic hydrocarbons and fullerenes J Poater, X Fradera, M Duran, M Sola Chemistry–A European Journal 9 (5), 1113-1122, 2003 | 160 | 2003 |
Adenine versus guanine quartets in aqueous solution: dispersion-corrected DFT study on the differences in π-stacking and hydrogen-bonding behavior C Fonseca Guerra, T van der Wijst, J Poater, M Swart, FM Bickelhaupt Theoretical Chemistry Accounts 125, 245-252, 2010 | 150 | 2010 |
Local aromaticity of the six-membered rings in pyracylene. A difficult case for the NICS indicator of aromaticity J Poater, M Solà, RG Viglione, R Zanasi The Journal of Organic Chemistry 69 (22), 7537-7542, 2004 | 130 | 2004 |
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 | 129 | 2010 |