Definition, Mathematical Examples and Quantum Chemical Applications of Nested Summation Symbols and Logical Kronecker Deltas. - Ramon Carbó; Emili Besalú (Comput. Chem., 1994)

Calculation of clustered eigenvalues of large matrices using variance minimization method. - Emili Besalú; Josep Maria Bofill (J. Comput. Chem., 1998)

Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study. - Lluís Amat; David Robert; Emili Besalú; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 1998)

Prediction of approximate transition states by Bell-Evans-Polanyi principle: I. - Josep Maria Anglada; Emili Besalú; Josep Maria Bofill; Ramon Crehuet (J. Comput. Chem., 1999)

Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane. - Josep Maria Anglada; Emili Besalú; Josep Maria Bofill; Ramon Crehuet (J. Comput. Chem., 1999)

On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states. - Josep Maria Anglada; Emili Besalú; Josep Maria Bofill; Ramon Crehuet (J. Comput. Chem., 2001)

Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures. - Lluís Amat; Emili Besalú; Ramon Carbó-Dorca; Robert Ponec (J. Chem. Inf. Comput. Sci., 2001)

Trends and Plot Methods in MLR Studies. - Emili Besalú; Jesús Vicente de Julián-Ortiz; Lionello Pogliani (J. Chem. Inf. Model., 2007)

Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures. - Ramon Carbó-Dorca; Emili Besalú (J. Comput. Chem., 2010)

Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm. - Ramon Carbó-Dorca; Emili Besalú; Luz Dary Mercado (J. Comput. Chem., 2011)

The Dependent Chip Model (DCM): a simple and more realistic alternative to the Independent Chip Model (ICM). - Emili Besalú (CoRR, 2021)