| 2011 | ||
|---|---|---|
| j22 | J. Oscar C. Jiménez-Halla, Eduard Matito, Lluís Blancafort, Juvencio Robles, Miquel Solà: Erratum: Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts. Journal of Computational Chemistry 32(2): 372-373 (2011) | |
| j21 | Wouter Heyndrickx, Pedro Salvador, Patrick Bultinck, Miquel Solà, Eduard Matito: Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices. Journal of Computational Chemistry 32(3): 386-395 (2011) | |
| j20 | Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt: Inter- and intramolecular dispersion interactions. Journal of Computational Chemistry 32(6): 1117-1127 (2011) | |
| j19 | Cina Foroutan-Nejad, Shant Shahbazian, Ferran Feixas, Parviz Rashidi-Ranjbar, Miquel Solà: A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings. Journal of Computational Chemistry 32(11): 2422-2431 (2011) | |
| 2010 | ||
| j18 | Miquel Solà, Ferran Feixas, J. Oscar C. Jiménez-Halla, Eduard Matito, Jordi Poater: A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity. Symmetry 2(2): 1156-1179 (2010) | |
| 2009 | ||
| j17 | Albert Poater, Ana Gallegos Saliner, Ramon Carbó-Dorca, Jordi Poater, Miquel Solà, Luigi Cavallo, Andrew P. Worth: Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine. Journal of Computational Chemistry 30(2): 275-284 (2009) | |
| j16 | J. Oscar C. Jiménez-Halla, Eduard Matito, Lluís Blancafort, Juvencio Robles, Miquel Solà: Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts. Journal of Computational Chemistry 30(16): 2764-2776 (2009) | |
| j15 | Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt: Switching between OPTX and PBE exchange functionals. J. Comput. Meth. in Science and Engineering 9(1-2): 69-77 (2009) | |
| 2008 | ||
| j14 | Miquel Torrent-Sucarrat, Pedro Salvador, Miquel Solà, Paul Geerlings: The hardness kernel as the basis for global and local reactivity indices. Journal of Computational Chemistry 29(7): 1064-1072 (2008) | |
| j13 | Ferran Feixas, Eduard Matito, Jordi Poater, Miquel Solà: On the performance of some aromaticity indices: A critical assessment using a test set. Journal of Computational Chemistry 29(10): 1543-1554 (2008) | |
| 2007 | ||
| j12 | F. Matthias Bickelhaupt, Miquel Solà, Célia Fonseca Guerra: Covalent versus ionic bonding in alkalimetal fluoride oligomers. Journal of Computational Chemistry 28(1): 238-250 (2007) | |
| j11 | Miquel Torrent-Sucarrat, Pedro Salvador, Paul Geerlings, Miquel Solà: On the quality of the hardness kernel and the Fukui function to evaluate the global hardness. Journal of Computational Chemistry 28(2): 574-583 (2007) | |
| j10 | Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt: Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods. Journal of Computational Chemistry 28(9): 1551-1560 (2007) | |
| 2005 | ||
| j9 | G. Theodoor De Jong, Daan P. Geerke, Axel Diefenbach, Miquel Solà, F. Matthias Bickelhaupt: Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study. Journal of Computational Chemistry 26(10): 1006-1020 (2005) | |
| j8 | A. Patrícia Bento, Miquel Solà, F. Matthias Bickelhaupt: Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si). Journal of Computational Chemistry 26(14): 1497-1504 (2005) | |
| 2004 | ||
| j7 | Xavier Fradera, Miquel Solà: Second-order atomic Fukui indices from the electron-pair density in the framework of the atoms in molecules theory. Journal of Computational Chemistry 25(3): 439-446 (2004) | |
| 2002 | ||
| j6 | Xavier Fradera, Miquel Solà: Electron localization and delocalization in open-shell molecules. Journal of Computational Chemistry 23(14): 1347-1356 (2002) | |
| 2001 | ||
| j5 | Jordi Poater, Miquel Duran, Miquel Solà: Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques. Journal of Computational Chemistry 22(14): 1666-1678 (2001) | |
| 2000 | ||
| j4 | Marta Forés, Miquel Duran, Miquel Solà, Ludwik Adamowicz: Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparison. Journal of Computational Chemistry 21(4): 257-269 (2000) | |
| 1995 | ||
| j3 | F. Matthias Bickelhaupt, Miquel Solà, Paul von Ragué Schleyer: Theoretical Investigation of the Relative Stabilites of XSSX and X2SS Isomers (X=F, C1, H, and CH3. Journal of Computational Chemistry 16(4): 465-477 (1995) | |
| 1994 | ||
| j2 | Jordi Mestres, Miquel Solà, Miquel Duran, Ramon Carbó: On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density. Journal of Computational Chemistry 15(10): 1113-1120 (1994) | |
| j1 | Miquel Solà, Jordi Mestres, Miquel Duran, Ramon Carbó: Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd). Journal of Chemical Information and Computer Sciences 34(5): 1047-1053 (1994) | |
Colors in the list of coauthors
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