Miquel Solà Puig
Miquel Solà Puig
University of Girona (UdG), Institute of Computational Chemistry & Catalysis and Dep. of Chemistry
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ADF2013, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
URL: http://www. scm. com, 2014
1097*2014
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
5772005
Theoretical studies of some transition-metal-mediated reactions of industrial and synthetic importance
M Torrent, M Sola, G Frenking
Chemical reviews 100 (2), 439-494, 2000
3992000
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
3762003
The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization
E Matito, M Duran, M Solà
The Journal of chemical physics 122 (1), 014109, 2005
3492005
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
3262006
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
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
2182006
Forty years of Clar's aromatic π-sextet rule
M Solà
Frontiers in chemistry 1, 22, 2013
2142013
Chemical bonding in transition metal carbene complexes
G Frenking, M Solà, SF Vyboishchikov
Journal of organometallic chemistry 690 (24-25), 6178-6204, 2005
2082005
Quantifying aromaticity with electron delocalisation measures
F Feixas, E Matito, J Poater, M Solà
Chemical Society Reviews 44 (18), 6434-6451, 2015
2042015
Nucleophilic Aryl Fluorination and Aryl Halide Exchange Mediated by a CuI/CuIII Catalytic Cycle
A Casitas, M Canta, M Sola, M Costas, X Ribas
Journal of the American Chemical Society 133 (48), 19386-19392, 2011
2042011
One century of physical organic chemistry: the Menshutkin reaction
JLM Abboud, R Notario, J Bertran, M Solà
Progress in Physical Organic Chemistry 19, 1-182, 1993
204*1993
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
1872007
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
1872005
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: Theory, Computation, and Modeling …, 2002
1872002
Electron sharing indexes at the correlated level. Application to aromaticity calculations
E Matito, M Solà, P Salvador, M Duran
Faraday discussions 135, 325-345, 2007
1842007
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 (4), 214-224, 2002
1732002
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
1672004
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules
M Torrent-Sucarrat, M Sola, M Duran, JM Luis, B Kirtman
The Journal of chemical physics 120 (14), 6346-6355, 2004
1602004
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