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Miquel Solà, Miquel Duran, Jordi Mestres
Theoretical Study of the Regioselectivity of Successive 1,3-Butadiene DielsAlder Cycloadditions to C60
J. Am. Chem. Soc., 1996, 118, 8920-8924
DOI: 10.1021/ja9614631

M. Torrent, P. Gili, M. Duran, M. 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

Ramon Carbí-Dorca, Emili Besalí
Extending molecular similarity to energy surfaces: Boltzmann similarity measures and indices
J. Math. Chem., 1996, 20, 247-261
DOI: 10.1007/BF01165346

Ramon Carbí-Dorca, Emili Besalí
A procedure to obtain an accurate approximation to a full CI wavefunction
J. Math. Chem., 1996, 20, 263-271
DOI: 10.1007/BF01165347

R. Carbí, E. Besalí, Ll. Amat, X. Fradera
On quantum molecular similarity measures (QMSM) and indices (QMSI)
J. Math. Chem., 1996, 19, 47-56
DOI: 10.1007/BF01165130

J. Mestres, M. Solà, R. Carbó, 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

X Fradera, Ll Amat, M Torrent, J Mestres, P Constans, E Besalú, J Martí, S Simon, M Lobato, J.M Oliva, J.M Luis, J.L Andrés, M Solà, R Carbó, M 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

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