Publications

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C Bozzo, N Mur, P Constans, M D Pujol. Furo[3,4-b]benzodioxin cycloadditions. A one-pot synthesis of functionalized bis-adducts. Eur. J. Org. Chem., 2009.

P Constans. A simple extraction procedure for bibliographical author field. arXiv, 2009.

Preprint PDF Project

P Constans. Approximate textual retrieval. arXiv, 2007.

Preprint PDF Project

M Romero, P Renard, D-H Caignard, G Atassi, X Solans, P Constans, C Bailly, M D Pujol. Synthesis and structure-activity relationships of new benzodioxinic lactones as potential anticancer drugs. J. Med. Chem., 2007.

M Romero, Y Harrak, J Basset, L Ginet, P Constans, M D Pujol. Preparation of N-arylpiperazines and other N-aryl compounds from aryl bromides as scaffolds of bioactive compounds. Tetrahedron, 2006.

Y Harrak, M Romero, P Constans, M D Pujol. Preparation of diarylamines and arylhydrazines using palladium catalysts. Lett. Org. Chem., 2006.

P Constans. On the functional significance of electron density protein structure alignments. Proteins, 2004.

Preprint PDF Project

K Wang, M Murcia, P Constans, C Pérez, A R Ortiz. Gaussian mapping of chemical fragments in ligand binding sites. Comput. Aided Mol. Des., 2004.

P Constans, G E Scuseria. The Laplace transform perturbative triples correction ansatz. Collect. Czech. Chem. Commun., 2003.

P Constans. Linear scaling approaches to Quantum Macromolecular Similarity: Evaluating the similarity function. J. Comput. Chem., 2002.

Preprint PDF Project

P Constans. Tables of atomic densities from H to Kr. 2001.

PDF Dataset Project

P Constans, P Y Ayala, G E Scuseria. Scaling reduction of the perturbative triples correction (T) to coupled cluster theory via Laplace transform formalism. J. Chem. Phys., 2000.

P Constans, J D Hirst. Nonparametric regression applied to Quantitative Structure-Activity Relationships. J. Chem. Inf. Comput. Sci., 2000.

P Constans. Desenvolupament computacional de la semblança molecular quàntica. 1997.

P Constans, L Amat, R Carbó-Dorca. Toward a global maximization of the molecular similarity function: Superposition of two molecules. J. Comput. Chem., 1997.

P Constans, L Amat, X Fradera, R Carbó-Dorca. Quantum Molecular Similarity Measures (QMSM) and the Atomic Shell Approximation (ASA). Adv. Mol. Simil., 1996.

X Fradera, L Amat, M Torrent, J Mestres, P Constans, E Besalú, J Martí, S Simon, M Lobato, J M Oliva, J M Luis, J L Andrés, M Solà, R Carbó, M Duran. Analysis of the changes on the potential energy surface of Menshutkin reactions induced by external perturbations. J. Mol. Struct. Theochem, 1996.

L Amat, R Carbó, P Constans. Algorisme d'optimització global de les mesures de semblança quàntica molecular. Scientia gerundensis, 1996.

J Cioslowski, B B Stefanov, P Constans. Efficient algorithm for quantitative assessment of similarities among atoms in molecules. J. Comput. Chem., 1996.

P Constans, R Carbó. Atomic Shell Approximation: Electron density fitting algorithm restricting coefficients to positive values. J. Chem. Inf. Comput. Sci., 1995.

Preprint PDF Project

C Rovira, P Constans, M H Whangbo, J J Novoa. Theoretical study of the structure and vibrational spectra of the (H₂O)₂···HF and H₂O···(HF)₂ molecular complexes. Int. J. Quantum Chem., 1994.

J J Novoa, P Constans, M H Whangbo. On the strength of the C-H···O hydrogen bond and the eclipsed arrangement of the methyl group in a tricyclic orthoamide trihydrate. Angew. Chem. Int. Ed. Engl., 1993.