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Jordi Mestres, Miquel Duran, Juan Bertrán
Comparative electronic analysis between hydrogen transfers in the CH4 /CH3 + , CH4 /CH3 • , and CH4 /CH3 − systems: on the electronic nature of
Can. J. Chem., 1996, 74, 1253-1262
DOI: 10.1139/v96-141

Miquel Solà, Jordi Mestres, Josep M. Oliva, Miquel Duran, Ramon Carbó-Dorca
The use of ab initio quantum molecular selfsimilarity measures to analyze electronic charge density distributions
Int. J. Quant. Chem., 1996, 58, 361-372
DOI: 10.1007/BF01165346
OpenAccess: –
Keywords: Molecular similarity

Ramon Carbó-Dorca, Emili Besalú
A procedure to obtain an accurate approximation to a full CI wavefunction
J Math Chem, 1996, 20, 263-271
DOI: 10.1007/BF01165347
OpenAccess: –
Keywords: Molecular similarity

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, 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

Ramon Carbó-Dorca, Emili Besalú, 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, 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

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