The use of constrained methods to analyze the molecular reactivity and to define a new type of pseudo atoms by Cedillo, Andrés, Martínez-Aguilar, José-Remy

Get full text

Prediction of the tautomer stability and acidity of phenacylpyridines in aqueous solution by Cedillo, Andrés, Kvedaravičiūtė, Sonata, Aidas, Kęstutis

Get full text

The Role of the Density Response Kernel in the Protonation Process by Cedillo, Andrés

Get full text

Comment on “Power Law Distribution Concerning Absolute Free Energies of Linear Sulfur Chains, Polythiazyls, Polyisoprenes, Linear trans-Polyenes, and Polyynes” by Cedillo, Andrés

Get full text

The density response kernel, the Fukui function, and other response functions from the Kohn–Sham orbitals by Cedillo, Andrés

Get full text

Prediction of the solid–solid pressure-induced phase transition in cubic ionic crystals with empirical potentials by Cedillo, Andrés

Get full text

Electrodonating and Electroaccepting Powers by Gázquez, José L, Cedillo, Andrés, Vela, Alberto

Get full text

Comment on “Localization–delocalization phenomena in a cyclic box” by H. H. Corzo, H. G. Laguna, and R. P. Sagar by Cedillo, Andrés

Get full text

Reactivity of Carbon Molecular Clusters from a Hückel-Type Model by Cedillo, Andrés, Cárdenas, Carlos

Get full text

Stability of the different AlOOH phases under pressure by Cedillo, Andrés, Torrent, Marc, Cortona, Pietro

Get full text

Koopmans-like Approximation in the Kohn−Sham Method and the Impact of the Frozen Core Approximation on the Computation of the Reactivity Parameters of the Density Functional Theory... by Vargas, Rubicelia, Garza, Jorge, Cedillo, Andrés

Get full text

Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory by Cárdenas, Carlos, Ayers, Paul W., Cedillo, Andrés

Get full text

Chemical reactivity of the frustrated Lewis pairs in borophosphines: a theoretical analysis of their Lewis acidity, Lewis basicity and Fukui function by Méndez, Mariano, Cedillo, Andrés

Get full text

Gas phase Lewis acidity and basicity scales for boranes, phosphines and amines based on the formation of donor–acceptor complexes by Méndez, Mariano, Cedillo, Andrés

Get full text

Bond fukui indices: Comparison of frozen molecular orbital and finite differences through mulliken populations by Bultinck, Patrick, Van Damme, Sofie, Cedillo, Andrés

Get full text

Solvent effects on the energetic parameters and chemical reactivity in the keto–enol tautomeric equilibrium of substituted carbonyl compounds by González-Rivas, Nelly, Cedillo, Andrés

Get full text

A Local Extension of the Electrophilicity Index Concept by Cedillo, Andrés, Contreras, Renato

Get full text

Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method by Cedillo, Andrés, Van Neck, Dimitri, Bultinck, Patrick

Get full text

Stability and bonding in the borane-H2 complexes by Méndez, Mariano, Cedillo, Andrés

Get full text

Stability and bonding in the borane–H 2 complexes by Méndez, Mariano, Cedillo, Andrés

Get full text