Jordi Poater - ORCID: 0000-0002-0814-5074
Jordi Poater - ORCID: 0000-0002-0814-5074
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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
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
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
Quantifying aromaticity with electron delocalisation measures
F Feixas, E Matito, J Poater, M Solà
Chemical Society Reviews 44 (18), 6434-6451, 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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