A survey of parallel programming models and tools in the multi and many-core era J Diaz, C Munoz-Caro, A Nino IEEE Transactions on parallel and distributed systems 23 (8), 1369-1386, 2012 | 437 | 2012 |
Modeling of protonation processes in acetohydroxamic acid C Munoz-Caro, A Nino, ML Senent, JM Leal, S Ibeas The Journal of organic chemistry 65 (2), 405-410, 2000 | 137 | 2000 |
Effect of anharmonicities on the thermodynamic properties of the water dimer C Munoz-Caro, A Nino The Journal of Physical Chemistry A 101 (22), 4128-4135, 1997 | 52 | 1997 |
Deprotonation sites of acetohydroxamic acid isomers. A theoretical and experimental study ML Senent, A Niño, CM Caro, S Ibeas, B García, JM Leal, F Secco, ... The Journal of organic chemistry 68 (17), 6535-6542, 2003 | 50 | 2003 |
Wagging and torsion vibronic structure in the T1. rarw. S0 electronic spectrum of acetaldehyde A Nino, C Munoz-Caro, DC Moule The Journal of Physical Chemistry 98 (6), 1519-1524, 1994 | 50 | 1994 |
Theoretical prediction of relative and absolute pKa values of aminopyridines NA Caballero, FJ Melendez, C Muñoz-Caro, A Nino Biophysical chemistry 124 (2), 155-160, 2006 | 49 | 2006 |
Conformations, Protonation Sites, and Metal Complexation of Benzohydroxamic Acid. A Theoretical and Experimental Study B Garcıa, S Ibeas, JM Leal, F Secco, M Venturini, ML Senent, A Nino, ... Inorg. Chem 44, 2908-2919, 2005 | 45 | 2005 |
The nature of the receptor site for the reversible K+ channel blocking by aminopyridines C Muñoz-Caro, A Niño Biophysical chemistry 96 (1), 1-14, 2002 | 44 | 2002 |
The T1(nπ*)←S laser induced phosphorescence excitation spectrum of acetaldehyde in a supersonic free jet: Torsion and wagging potentials in the lowest triplet … H Liu, EC Lim, C Muñoz‐Caro, A Nino, RH Judge, DC Moule The Journal of chemical physics 105 (7), 2547-2552, 1996 | 44 | 1996 |
Mechanism of pyridine protonation in water clusters of increasing size MC Sicilia, A Niño, C Muñoz-Caro The Journal of Physical Chemistry A 109 (37), 8341-8347, 2005 | 40 | 2005 |
Theoretical study of the effect of hydrogen-bonding on the stability and vibrational spectrum of isolated 2, 2, 2-trifluoroethanol and its molecular complexes ML Senent, A Niño, C Muñoz-Caro, YG Smeyers, R Domínguez-Gómez, ... The Journal of Physical Chemistry A 106 (44), 10673-10680, 2002 | 39 | 2002 |
Molecular docking study of the binding of aminopyridines within the K+ channel NA Caballero, FJ Meléndez, A Niño, C Muñoz-Caro Journal of molecular modeling 13, 579-586, 2007 | 35 | 2007 |
Derivation of self-scheduling algorithms for heterogeneous distributed computer systems: Application to internet-based grids of computers J Díaz, S Reyes, A Niño, C Muñoz-Caro Future Generation Computer Systems 25 (6), 617-626, 2009 | 34 | 2009 |
Rational modelling of the voltage-dependent K+ channel inactivation by aminopyridines A Niño, C Muñoz-Caro, R Carbó-Dorca, X Gironés Biophysical chemistry 104 (2), 417-427, 2003 | 34 | 2003 |
Computation of kinetic constants for large range internal motions in molecules A Niño, C Muñoz-Caro Computers & chemistry 18 (1), 27-32, 1994 | 34 | 1994 |
Theoretical analysis of the molecular determinants responsible for the K+ channel blocking by aminopyridines A Nino, C Munoz-Caro Biophysical Chemistry 91 (1), 49-60, 2001 | 33 | 2001 |
Theoretical study of the effect of torsional anharmonicity on the thermodynamic properties of methanol C Muñoz-Caro, A Niño, ML Senent Chemical physics letters 273 (3-4), 135-140, 1997 | 33 | 1997 |
Theoretical analysis of pyridine protonation in water clusters of increasing size MC Sicilia, C Muñoz‐Caro, A Niño ChemPhysChem 6 (1), 139-147, 2005 | 26 | 2005 |
The Torsion–Inversion Energy Levels in theS1 (n, π*) Electronic State of Acetaldehyde from High-Resolution Jet-Cooled Fluorescence Excitation Spectroscopy H Liu, EC Lim, C Munoz-Caro, A Nino, RH Judge, DC Moule Journal of Molecular Spectroscopy 175 (1), 172-189, 1996 | 25 | 1996 |
Recursive computation of Hamiltonian matrix elements using harmonic oscillator eigenfunctions: Application to the inversion of ammonia and to the methyl torsion+ aldehydic … A Niño, C Muñoz-Caro Computers & chemistry 19 (4), 371-378, 1995 | 24 | 1995 |