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The Journal of Physical Chemistry. A|May 30, 2020
On Electronegativity, Hardness, and Reactivity Descriptors: A New Property-Oriented Basis SetJesús Sánchez-Márquez, Victor García, David Zorrilla, et al.Journal of Computational Chemistry|August 26, 2021
Property-oriented basis sets for computation of atomization energiesVictor García, David Zorrilla, Manuel Fernández, et al.Journal of Computer-Aided Molecular Design|January 4, 2020
Software to obtain spatially localized functions from different radial functionsJesús Sánchez-Márquez, Victor García, David Zorrilla, et al.Journal of Molecular Modeling|December 24, 2017
Introducing a new bond reactivity index: Philicities for natural bond orbitalsJesús Sánchez-Márquez, David Zorrilla, Víctor García, et al.The Journal of Physical Chemistry. A|September 29, 2009
Ibuprofen loading in surfactant-templated silica: role of the solvent according to the polarizable continuum modelManuel Fernández-Núñez, David Zorrilla, Antonio Montes, et al.Data in Brief|January 31, 2024
Dataset of phase-resolved images of internal, corona, and surface partial discharges in electrical generatorsJuan David Zorrilla Henao, Alejandro Segura, Alejandro Tenorio, et al.Applied Spectroscopy|June 10, 2016
Micro-Raman Spectroscopy for the Determination of Local Temperature Increases in TiO2 Thin Films due to the Effect of RadiationJuan Jesús Gallardo, Javier Navas, David Zorrilla, et al.Journal of Computational Chemistry|October 28, 2015
DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in moleculesAnmol Kumar, Sachin D Yeole, Shridhar R Gadre, et al.Nanoscale|April 9, 2025
N-/Si-co-doped nanocrystalline diamonds as highly sensitive luminescent thermometersMabel Rodríguez-Fernández, María Gragera, Iván Carrillo-Berdugo, et al.Journal of Molecular Modeling|October 24, 2014
Introducing "UCA-FUKUI" software: reactivity-index calculationsJesús Sánchez-Márquez, David Zorrilla, Antonio Sánchez-Coronilla, et al.Pageof 2