Miquel Duran

According to our database, Miquel Duran authored at least 8 papers between 1994 and 2017.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2017

Is coronene better described by Clar's aromatic π-sextet model or by the AdNDP representation?

Anand Kumar, Miquel Duran, Miquel Solà

J. Comput. Chem., 2017

2001

On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes.

Pedro Salvador, Béla Paizs, Miquel Duran, Sándor Suhai

J. Comput. Chem., 2001

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

Jordi Poater, Miquel Duran, Miquel Solà

J. Comput. Chem., 2001

Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces.

Béla Paizs, Pedro Salvador, Attila G. Császár, Miquel Duran, Sándor Suhai

J. Comput. Chem., 2001

2000

Atomic transferability within the exchange-correlation density.

Xavier Fradera, Miquel Duran, Jordi Mestres

J. Comput. Chem., 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.

Marta Forés, Miquel Duran, Miquel Solà, Ludwik Adamowicz

J. Comput. Chem., 2000

1994

Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd).

Miquel Solà, Jordi Mestres, Miquel Duran, Ramon Carbó

J. Chem. Inf. Comput. Sci., 1994

On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density.

Jordi Mestres, Miquel Solà, Miquel Duran, Ramon Carbó

J. Comput. Chem., 1994