RAFAEL ALBERTO
LÓPEZ ZORZANO
Profesor contratado doctor
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Universidad Autónoma de Madrid
Madrid, EspañaPublikationen in Zusammenarbeit mit Forschern von Universidad Autónoma de Madrid (77)
2019
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Efficient evaluation of molecular electrostatic potential in large systems
Computation, Vol. 7, Núm. 4, pp. 1-19
2018
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A phase II Study Evaluating Combined Neoadjuvant Cetuximab and Chemotherapy Followed by Chemoradiotherapy and Concomitant Cetuximab in Locoregional Oesophageal Cancer Patients
Targeted Oncology, Vol. 13, Núm. 1, pp. 69-78
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Correction to: A Phase II Study Evaluating Combined Neoadjuvant Cetuximab and Chemotherapy Followed by Chemoradiotherapy and Concomitant Cetuximab in Locoregional Oesophageal Cancer Patients (Targeted Oncology, (2018), 13, 1, (69-78), 10.1007/s11523-017-0536-z)
Targeted Oncology
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Efficient algorithm for expanding theoretical electron densities in canterakis–zernike functions
Journal of Computational Chemistry, Vol. 39, Núm. 24, pp. 2022-2032
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Molecular modeling and physicochemical properties of 1-alkyl-3-methylimidazolium-FeX4 and -Fe2X7 (X = Cl and Br) magnetic ionic liquids
Journal of Molecular Liquids, Vol. 256, pp. 175-182
2017
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The role of errors related to DFT methods in calculations involving ion pairs of ionic liquids
Journal of Computational Chemistry, Vol. 38, Núm. 8, pp. 530-540
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Topology of molecular electron density and electrostatic potential with DAMQT
Computer Physics Communications, Vol. 214, pp. 207-215
2016
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Understanding the Structure and Properties of Cholinium Amino Acid Based Ionic Liquids
Journal of Physical Chemistry B, Vol. 120, Núm. 39, pp. 10327-10335
2015
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DAMQT 2.0: A new version of the DAMQT package for the analysis of electron density in molecules
Computer Physics Communications, Vol. 192, pp. 289-294
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DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules
Journal of Computational Chemistry, Vol. 36, Núm. 31, pp. 2350-2359
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Effect of dielectric constant on estimation of properties of ionic liquids: an analysis of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
RSC Advances, Vol. 5, Núm. 89, pp. 72709-72715
2014
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Alkyl substituent effect on density, viscosity and chemical behavior of 1-alkyl-3-methylimidazolium chloride
Journal of Molecular Modeling, Vol. 20, Núm. 9, pp. 1-9
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Electron density analysis of 1-butyl-3-methylimidazolium chloride ionic liquid
Journal of Molecular Modeling, Vol. 20, Núm. 6
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Nuclear cusp conditions and their fulfillment in molecular calculations with SLATER basis sets
International Journal of Quantum Chemistry, Vol. 114, Núm. 20, pp. 1393-1400
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Statistical refinement and fitting of experimental viscosity-to-temperature data in ionic liquids
Industrial and Engineering Chemistry Research, Vol. 53, Núm. 25, pp. 10475-10484
2013
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A mathematical model applied for assisting the estimation of PMI in a case of forensic importance. First record of Conicera similis (Diptera: Phoridae) in a corpse
Forensic Science International, Vol. 231, Núm. 1-3
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A note on atomic density
International Journal of Quantum Chemistry, Vol. 113, Núm. 1, pp. 52-55
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Effect of the molecular structure in the prediction of thermodynamic properties for 1-butyl-3-methylimidazolium chloride ionic liquid
International Journal of Quantum Chemistry, Vol. 113, Núm. 6, pp. 852-858
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Electron density deformations provide new insights into the spectral shift of rhodopsins
Journal of Computational Chemistry, Vol. 34, Núm. 28, pp. 2460-2471
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Improved partition-expansion of two-center distributions involving slater functions
Journal of Computational Chemistry, Vol. 34, Núm. 21, pp. 1800-1809