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ORCIDMiquel Duran
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2010 – 2019
- 2017
[j8]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): 1606-1611 (2017)
2000 – 2009
- 2001
- [j7]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): 196-207 (2001) - [j6]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): 765-786 (2001) - [j5]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): 1666-1678 (2001) - 2000
- [j4]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): 257-269 (2000) - [j3]Xavier Fradera, Miquel Duran, Jordi Mestres:
Atomic transferability within the exchange-correlation density. J. Comput. Chem. 21(15): 1361-1374 (2000)
1990 – 1999
- 1994
- [j2]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): 1113-1120 (1994) - [j1]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): 1047-1053 (1994)
Coauthor Index
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