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Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparison.

M. Forés, M. Duran, M. Solà, and L. Adamowicz. J. Comput. Chem., 21 (4): 257-269 (2000)

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Beate Miquel

Miquel Marqués

Miquel Bemmelen

Joan Miquel

Marc Miquel

Other publications of authors with the same name

Atomic transferability within the exchange-correlation density.X. Fradera, M. Duran, and J. Mestres. J. Comput. Chem., 21 (15): 1361-1374 (2000)Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparison.M. Forés, M. Duran, M. Solà, and L. Adamowicz. J. Comput. Chem., 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.P. Salvador, B. Paizs, M. Duran, and S. Suhai. J. Comput. Chem., 22 (7): 765-786 (2001)Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd).M. Solà, J. Mestres, M. Duran, and R. Carbó. J. Chem. Inf. Comput. Sci., 34 (5): 1047-1053 (1994)Is coronene better described by Clar's aromatic π-sextet model or by the AdNDP representation?A. Kumar, M. Duran, and M. Solà. J. Comput. Chem., 38 (18): 1606-1611 (2017)Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces.B. Paizs, P. Salvador, A. Császár, M. Duran, and S. Suhai. J. Comput. Chem., 22 (2): 196-207 (2001)Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques.J. Poater, M. Duran, and M. Solà. J. Comput. Chem., 22 (14): 1666-1678 (2001)On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density.J. Mestres, M. Solà, M. Duran, and R. Carbó. J. Comput. Chem., 15 (10): 1113-1120 (1994)Modeling pressure drop produced by different filtering media in microirrigation sand filters using the hybrid ABC-MARS-based approach, MLP neural network and M5 model tree.P. Nieto, E. Gonzalo, J. Bové, G. Arbat, M. Duran-Ros, and J. Puig-Bargués. Comput. Electron. Agric., (2017)Rationalizing Drug Response in Cancer Cell LinesT. Juan-Blanco, M. Duran-Frigola, and P. Aloy. Journal of Molecular Biology, 430 (18, Part A): 3016 - 3027 (2018)Theory and Application of Network Biology Toward Precision Medicine.

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Disambiguation of "Duran, Miquel"