| Experimental and theoretical study of the electronic properties of Cu-doped anatase TiO 2 J Navas, A Sánchez-Coronilla, T Aguilar, NC Hernández, ... Physical Chemistry Chemical Physics 16 (8), 3835-3845, 2014 | 142 | 2014 |
| Introducing “UCA-FUKUI” software: reactivity-index calculations J Sánchez-Márquez, D Zorrilla, A Sánchez-Coronilla, DM de los Santos, ... Journal of molecular modeling 20, 1-13, 2014 | 128 | 2014 |
| On electronegativity, hardness, and reactivity descriptors: a new property-oriented basis set J Sánchez-Márquez, V García, D Zorrilla, M Fernández The Journal of Physical Chemistry A 124 (23), 4700-4711, 2020 | 26 | 2020 |
| Interface-inspired formulation and molecular-level perspectives on heat conduction and energy storage of nanofluids I Carrillo-Berdugo, D Zorrilla, J Sánchez-Márquez, T Aguilar, JJ Gallardo, ... Scientific Reports 9 (1), 7595, 2019 | 22 | 2019 |
| New advances in conceptual-DFT: an alternative way to calculate the Fukui function and dual descriptor J Sánchez-Márquez Journal of Molecular Modeling 25, 1-7, 2019 | 20 | 2019 |
| Correlations between Fukui indices and reactivity descriptors based on Sanderson’s principle J Sánchez-Márquez The Journal of Physical Chemistry A 123 (40), 8571-8582, 2019 | 17 | 2019 |
| Introducing new reactivity descriptors:“Bond reactivity indices.” Comparison of the new definitions and atomic reactivity indices J Sánchez-Márquez The Journal of Chemical Physics 145 (19), 2016 | 16 | 2016 |
| On the determination of bond lengths by ab initio methods: estimation of errors and some improvements J Sánchez Márquez, M Fernández Núñez Journal of Molecular Structure: THEOCHEM 624, 239–249, 2003 | 16 | 2003 |
| Introducing a new bond reactivity index: Philicities for natural bond orbitals J Sánchez-Márquez, D Zorrilla, V García, M Fernández Journal of Molecular Modeling 24, 1-16, 2018 | 15 | 2018 |
| CuO-containing oil-based nanofluids for concentrating solar power: an experimental and computational integrated insight E Torres, I Carrillo-Berdugo, D Zorrilla, J Sánchez-Márquez, J Navas Journal of Molecular Liquids 325, 114643, 2021 | 13 | 2021 |
| A conceptual DFT analysis of the plausible mechanism of some pericyclic reactions A Morales-Bayuelo, J Sánchez-Márquez, G Jana, PK Chattaraj Structural Chemistry, 1-12, 2020 | 12 | 2020 |
| Convergent study of Ru–ligand interactions through QTAIM, ELF, NBO molecular descriptors and TDDFT analysis of organometallic dyes A Sánchez-Coronilla, J Sánchez-Márquez, D Zorrilla, EI Martín, ... Molecular Physics 112 (15), 2063-2077, 2014 | 11 | 2014 |
| Cu (II)-doped TiO2 nanoparticles as photoelectrode in dye-sensitized solar Cells: Improvement of open-circuit voltage and a light scattering effect J Navas, T Aguilar, C Fernández-Lorenzo, R Alcántara, DLM De Santos, ... Science of Advanced Materials 6 (3), 473-482, 2014 | 11 | 2014 |
| New insights in conceptual DFT: New model for the calculation of local reactivity indices based on the Sanderson's principle J Sánchez‐Márquez, V García, D Zorrilla, M Fernández International Journal of Quantum Chemistry 119 (7), e25844, 2019 | 9 | 2019 |
| Simplified Box Orbitals (SBO) for H To Ar atoms: Exact expressions, SBO‐3G approximations, and relations with the ZDO approximation V García, D Zorrilla, J Sánchez‐Márquez, M Fernández‐Núñez International Journal of Quantum Chemistry 116 (17), 1303-1312, 2016 | 8 | 2016 |
| Synthesis of pyrazolo-fused 4-azafluorenones in an ionic liquid. mechanistic insights by joint studies using dft analysis and mass spectrometry E Polo, V Arce-Parada, XA López-Cortés, J Sánchez-Márquez, ... Catalysts 9 (10), 820, 2019 | 7 | 2019 |
| Software to obtain accurate Gaussian expansions for a wide range of radial functions V García, D Zorrilla, J Sánchez-Márquez, M Fernández-Núñez Journal of molecular modeling 23, 1-8, 2017 | 7 | 2017 |
| Quasi‐random integration in quantum chemistry: Efficiency, stability, and application to the study of small atoms and molecules constrained in spherical boxes DZ Cuenca, JS Márquez, MF Núñez, RR Huertas International Journal of Quantum Chemistry 107 (4), 879-893, 2007 | 7 | 2007 |
| New insights about electronic mechanism of electrocyclic reactions: theoretical study about stereoselectivity in cyclobutenes A Morales-Bayuelo, J Sánchez-Márquez Heliyon 7 (4), 2021 | 6 | 2021 |
| Introducing a new methodology for the calculation of local philicity and multiphilic descriptor: an alternative to the finite difference approximation J Sánchez-Márquez, D Zorrilla, V García, M Fernández Molecular Physics 116 (13), 1737-1748, 2018 | 6 | 2018 |
VICTOR JESUS GARCIA HERNANDEZUniversidad de Cádiz在 uca.es 的电子邮件经过验证
