Emili Besalú

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2021 J jnl
The Dependent Chip Model (DCM): a simple and more realistic alternative to the Independent Chip Model (ICM).
CoRR
Emili Besalú
2011 J jnl
Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm.
J. Comput. Chem.
Ramon Carbó-Dorca, Emili Besalú, Luz Dary Mercado
2010 J jnl
Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures.
J. Comput. Chem.
Ramon Carbó-Dorca, Emili Besalú
2007 J jnl
Trends and Plot Methods in MLR Studies.
J. Chem. Inf. Model.
Emili Besalú, Jesús Vicente de Julián-Ortiz, Lionello Pogliani
2001 J jnl
Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures.
J. Chem. Inf. Comput. Sci.
Lluís Amat, Emili Besalú, Ramon Carbó-Dorca, Robert Ponec
2001 J jnl
On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states.
J. Comput. Chem.
Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet
2001 J jnl
On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states.
J. Comput. Chem.
Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet
1999 J jnl
Prediction of approximate transition states by Bell-Evans-Polanyi principle: I.
J. Comput. Chem.
Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet
1999 J jnl
Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane.
J. Comput. Chem.
Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet
1998 J jnl
Calculation of clustered eigenvalues of large matrices using variance minimization method.
J. Comput. Chem.
Emili Besalú, Josep Maria Bofill
1998 J jnl
Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study.
J. Chem. Inf. Comput. Sci.
Lluís Amat, David Robert, Emili Besalú, Ramon Carbó-Dorca
1994 J jnl
Definition, Mathematical Examples and Quantum Chemical Applications of Nested Summation Symbols and Logical Kronecker Deltas.
Comput. Chem.
Ramon Carbó, Emili Besalú