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Disambiguation of "Duran, Miquel"

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Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques.

, , and . Journal of Computational Chemistry, 22 (14): 1666-1678 (2001)

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Other publications of authors with the same name

Atomic transferability within the exchange-correlation density., , and . Journal of Computational Chemistry, 21 (15): 1361-1374 (2000)On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density., , , and . Journal of Computational Chemistry, 15 (10): 1113-1120 (1994)Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques., , and . Journal of Computational Chemistry, 22 (14): 1666-1678 (2001)Is coronene better described by Clar's aromatic π-sextet model or by the AdNDP representation?, , and . Journal of Computational Chemistry, 38 (18): 1606-1611 (2017)Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd)., , , and . Journal of Chemical Information and Computer Sciences, 34 (5): 1047-1053 (1994)Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparison., , , and . Journal of Computational Chemistry, 21 (4): 257-269 (2000)On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes., , , and . Journal of Computational Chemistry, 22 (7): 765-786 (2001)Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces., , , , and . Journal of Computational Chemistry, 22 (2): 196-207 (2001)Systems-Wide Prediction of Enzyme Promiscuity Reveals a New Underground Alternative Route for Pyridoxal 5'-Phosphate Production in E. coli., , , , , , , , , and 1 other author(s). PLoS Computational Biology, (2016)A PanorOmic view of personal cancer genomes., , , , , and . Nucleic Acids Research, 45 (Webserver-Issue): W195-W200 (2017)