| 1 |
The mapping of the local contributions of Fermi and Coulomb correlation into intracule and extracule density distributions
Fradera X, Duran M, Mestres J
Journal of Chemical Physics, 113(7), 2530, 2000 |
| 2 |
Interpretation of molecular intracule and extracule density distributions in terms of valence bond structures: Two-electron systems and processes
Fradera X, Duran M, Mestres J
Journal of Physical Chemistry A, 104(36), 8445, 2000 |
| 3 |
The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules
Fradera X, Duran M, Mestres J
Journal of Chemical Physics, 107(9), 3576, 1997 |
| 4 |
A Comparative-Analysis by Means of Quantum Molecular Similarity Measures of Density Distributions Derived from Conventional Ab-Initio and Density-Functional Methods
Sola M, Mestres J, Carbo R, Duran M
Journal of Chemical Physics, 104(2), 636, 1996 |
| 5 |
Effect of Solvation on the Charge-Distribution of a Series of Anionic, Neutral, and Cationic Species - A Quantum Molecular Similarity Study
Mestres J, Sola M, Carbo R, Luque FJ, Orozco M
Journal of Physical Chemistry, 100(2), 606, 1996 |
| 6 |
Theoretical-Study of Diels-Alder Cycloadditions of Butadiene to C-70 - An Insight into the Chemical-Reactivity of C-70 as Compared to C-60
Mestres J, Duran M, Sola M
Journal of Physical Chemistry, 100(18), 7449, 1996 |
| 7 |
Theoretical-Study of the Regioselectivity of Successive 1,3-Butadiene Diels-Alder Cycloadditions to C-60
Sola M, Duran M, Mestres J
Journal of the American Chemical Society, 118(37), 8920, 1996 |
| 8 |
Molecular-Size and Pyramidalization - 2 Keys for Understanding the Reactivity of Fullerenes
Sola M, Mestres J, Duran M
Journal of Physical Chemistry, 99(27), 10752, 1995 |
| 9 |
Use of Ab-Initio Quantum Molecular Similarities as an Interpretative Tool for the Study of Chemical-Reactions
Sola M, Mestres J, Carbo R, Duran M
Journal of the American Chemical Society, 116(13), 5909, 1994 |
