עקוב אחר
Jordi Poater - ORCID: 0000-0002-0814-5074
Jordi Poater - ORCID: 0000-0002-0814-5074
כתובת אימייל מאומתת בדומיין ub.edu - דף הבית
כותרת
צוטט על ידי
צוטט על ידי
שנה
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
7782005
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
5072003
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
4122006
Quantifying aromaticity with electron delocalisation measures
F Feixas, E Matito, J Poater, M Solà
Chemical Society Reviews 44 (18), 6434-6451, 2015
3842015
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
3102008
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
2882014
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
2622006
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
2602009
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
2522005
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
2372007
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
2172002
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
2052004
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
1952005
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
1872005
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
1602020
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
1602003
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
1502010
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
1292004
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
1272010
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