New approximation to the third-order density. Application to the calculation of correlated multicenter indices F Feixas, M Sola, JM Barroso, JM Ugalde, E Matito Journal of chemical theory and computation 10 (8), 3055-3065, 2014 | 41 | 2014 |
Toward an alternative hardness kernel matrix structure in the Electronegativity Equalization Method (EEM) J Chaves, JM Barroso, P Bultinck, R Carbó-Dorca Journal of chemical information and modeling 46 (4), 1657-1665, 2006 | 24 | 2006 |
Design of experiments applied to QSAR: ranking a set of compounds and establishing a statistical significance test JM Barroso, E Besalú Journal of Molecular Structure: THEOCHEM 727 (1-3), 89-96, 2005 | 12 | 2005 |
The vibrational auto-adjusting perturbation theory E Matito, JM Barroso, E Besalú, O Christiansen, JM Luis Theoretical Chemistry Accounts 123, 41-49, 2009 | 11 | 2009 |
New approximation to the third-order density: application to the calculation of correlated multicenter indices F Feixas Geronès, M Solà i Puig, JM Barroso, JM Ugalde, E Matito i Gras © Journal of Chemical Theory and Computation, 2014, vol. 10, p. 3055-3065, 2014 | | 2014 |
An iterative perturbation theory with a Hamiltonian modifier J Chaves, JM Barroso, E Besalú Journal of mathematical chemistry 49, 666-686, 2011 | | 2011 |
The vibrational auto-adjusting perturbation theory E Matito i Gras, JM Barroso, E Besalú i Llorà, O Christiansen, JM Luis Luis © Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2009 …, 2009 | | 2009 |
Towards new electronegaticity equalization method (EEM) hardness kernel matrix structure: atomic electronegativities and hardnesses calibration J Barroso, J Chaves, R Carbo-Dorca Carre, P Bultinck VI Girona seminar on molecular similarity, 107-107, 2003 | | 2003 |