about
Software to obtain accurate Gaussian expansions for a wide range of radial functions.Introducing a new bond reactivity index: Philicities for natural bond orbitals.Experimental and theoretical study of the electronic properties of Cu-doped anatase TiO2Introducing “UCA-FUKUI” software: reactivity-index calculationsReactivity indices for natural bond orbitals: a new methodologyIntroducing new reactivity descriptors: "Bond reactivity indices." Comparison of the new definitions and atomic reactivity indicesNew advances in conceptual-DFT: an alternative way to calculate the Fukui function and dual descriptorCorrelations between Fukui Indices and Reactivity Descriptors Based on Sanderson's PrincipleOn Electronegativity, Hardness, and Reactivity Descriptors: A New Property-Oriented Basis Set
P50
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P50
description
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Jesús Sánchez-Márquez
@ast
Jesús Sánchez-Márquez
@en
Jesús Sánchez-Márquez
@es
Jesús Sánchez-Márquez
@nl
type
label
Jesús Sánchez-Márquez
@ast
Jesús Sánchez-Márquez
@en
Jesús Sánchez-Márquez
@es
Jesús Sánchez-Márquez
@nl
prefLabel
Jesús Sánchez-Márquez
@ast
Jesús Sánchez-Márquez
@en
Jesús Sánchez-Márquez
@es
Jesús Sánchez-Márquez
@nl
P106
P1153
6505524983
P31
P496
0000-0001-9498-1361