Browsing by author "Graña Rodriguez, Ana Maria"

Now showing items 1-8 of 8

Achieving S2- in aqueous solution: an evaluation using First-Principle molecular dynamics simulations

Queizan Cores, Marta; Graña Rodriguez, Ana Maria; Hermida Ramon, Jose Manuel
article
Química Física
Allenylidene and diazoalkane complexes of a half-sandwich mixed phosphine – phosphinite ruthenium fragment

Álvarez Pazos, Nuria María; Bravo Bernardez, Jorge; Graña Rodríguez, Ana María; Garcia Fontan, Maria Soledad
article
Química Física
Do one‐step mechanisms always involve simultaneous evolution of electron density? QTAIM/IQA analysis of the Curtius rearrangement

López Fernández, José Luis; Mosquera Castro, Ricardo Antonio; Graña Rodríguez, Ana María
article
Química Física
Electron density analysis on the alpha acidity of nitriles

López, José Luis; Teixeira, Filipe; Graña Rodriguez, Ana Maria; Mosquera Castro, Ricardo Antonio
article
Química Física
Estudio QTAIM de nitrilos y compuestos relacionados

López Fernández, José Luis
doctoralThesis
Química Física
Química fundamental
Molecular design of interfaces of model food nanoemulsions: a combined experimental and theoretical approach

Martínez Senra, Tamara; Losada Barreiro, Sonia; Hermida Ramon, Jose Manuel; Graña Rodriguez, Ana Maria; Bravo Díaz, Carlos Daniel
article
Química Física
Synthesis of iridaoxaphospholane complexes

Álvarez Pazos, Nuria María; Graña Rodriguez, Ana Maria; Bravo Bernardez, Jorge; Talavera Nevado, María; Garcia Fontan, Maria Soledad
article
Química Física
Synthesis of Novel Dinuclear N-Substituted 4-(Dimethylamino)benzaldehyde Thiosemicarbazonates of Rhenium(I): Formation of Four- and/or Five-Membered Chelate Rings, Conformational Analysis, and Reactivity

Argibay Otero, Saray; Graña Rodríguez, Ana María; Carballo Rial, Rosa; Vázquez López, Ezequiel Manuel
article
Química Física