Miquel Duran

Publication Activity (10 Years)

Years Active: 1994-2017
Publications (10 Years): 1

Top Topics

Sensitivity Analysis

Statistical Model

Social Networks

Top Venues

J. Comput. Chem.

Publications

Anand Kumar, Miquel Duran, Miquel Solà
Is coronene better described by Clar's aromatic π-sextet model or by the AdNDP representation? J. Comput. Chem. 38 (18) (2017)
Béla Paizs, Pedro Salvador, Attila G. Császár, Miquel Duran, Sándor Suhai
Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces. J. Comput. Chem. 22 (2) (2001)
Jordi Poater, Miquel Duran, Miquel Solà
Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques. J. Comput. Chem. 22 (14) (2001)
Pedro Salvador, Béla Paizs, Miquel Duran, Sándor Suhai
On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes. J. Comput. Chem. 22 (7) (2001)
Xavier Fradera, Miquel Duran, Jordi Mestres
Atomic transferability within the exchange-correlation density. J. Comput. Chem. 21 (15) (2000)
Marta Forés, Miquel Duran, Miquel Solà, Ludwik Adamowicz
Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparison. J. Comput. Chem. 21 (4) (2000)
Miquel Solà, Jordi Mestres, Miquel Duran, Ramon Carbó
Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd). J. Chem. Inf. Comput. Sci. 34 (5) (1994)
Jordi Mestres, Miquel Solà, Miquel Duran, Ramon Carbó
On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density. J. Comput. Chem. 15 (10) (1994)