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M. Torrent, P. Gili, Miquel Duran, Miquel Solà
Exploring chromium (VI) dioxodihalides chemistry: Is density functional theory the most suitable tool?
J. Chem. Phys., 1996, 104, 9499
DOI: 10.1063/1.471693

J. Mestres, Miquel Solà, Ramon Carbó-Dorca, F. J. Luque, Modesto Orozco
Effect of Solvation on the Charge Distribution of a Series of Anionic, Neutral, and Cationic Species. A Quantum Molecular Similarity Study
J. Phys. Chem., 1996, 100, 606-610
DOI: 10.1021/jp9519169

Jordi Mestres, Miquel Duran, Miquel Solà
Theoretical Study of Diels−Alder Cycloadditions of Butadiene to C70 . An Insight into the Chemical Reactivity of C70 as Compared to C60
J. Phys. Chem., 1996, 100, 7449-7454
DOI: 10.1021/jp960312h

Maricel Torrent, Miquel Duran, Miquel Solà
An assessment of density functional theory on evaluating activation barriers for small organic gas-phase rearrangement reactions
Journal of Molecular Structure: THEOCHEM, 1996, 362, 163-173
DOI: 10.1016/0166-1280(95)04406-X

Xavier Fradera, Ll. Amat, Miquel Torrent-Sucarrat, J. Mestres, P. Constans, Emili Besalú, J. Martí, Sílvia Simon, M. Lobato, J. M. Oliva, Josep M. Luis, J.L. Andrés, Miquel Solà, Ramon Carbó-Dorca, Miquel Duran
Analysis of the changes on the potential energy surface of Menshutkin reactions induced by external perturbations
Journal of Molecular Structure: THEOCHEM, 1996, 371, 171-183
DOI: 10.1016/S0166-1280(96)04637-4

Miquel Solà, Tom Ziegler
Theoretical Study on Acetaldehyde and Ethanol Elimination from the Hydrogenation of CH3 (O)CCo(CO)3
Organometallics, 1996, 15, 2611-2618
DOI: 10.1021/om950881w

Miquel Solà, Jordi Mestres, Ramon Carbó, Miquel Duran
A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventionalab initio and density functional methods
The Journal of Chemical Physics, 1996, 104, 636-647
DOI: 10.1063/1.470859
Keywords: Molecular similarity

Miquel Solà, Montserrat Ventura, Cristobal Segura, Miquel Duran
AM1 study of a substituent transfer by means of a Diels?Alder and retro-Diels?Alder tandem reaction
J. Chem. Soc., Perkin Trans. 2, 1995, 0, 605-608
DOI: 10.1039/p29950000605

Miquel Solà, Jordi Mestres, Miquel Duran
Molecular Size and Pyramidalization: Two Keys for Understanding the Reactivity of Fullerenes
J. Phys. Chem., 1995, 99, 10752-10758
DOI: 10.1021/j100027a013

Miquel Solà, José L. Andrés, Miquel Duran, Agusti Lledos, Juan Bertran
Ab initio study of the HCO3-/H2O exchange in the (NH3)3 ZnII(HCO3-) complex
Theor Chim Acta, 1995, 91, 333
DOI: 10.1007/s002140050107


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