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Density functional theory

Llistar Títols per Matèria "Density functional theory"

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doc icon DUGiDocs 17 novembre 2017 Computational study of nuclear magnetic shielding constants Castro Aguilera, Abril Carolina
out url icon DUGiDocs 15 juliol 2024 Exploring the reactivity of in situ generated metal vinylcarbenes Díaz Jiménez, Àlex
doc icon DUGiDocs 24 febrer 2017 New carbocyclisations of polyunsaturated hydrazones catalysed by rhodium(I) Torres Antón, Òscar
out url icon Recercat New carbocyclisations of polyunsaturated hydrazones catalysed by rhodium(I) Torres Antón, Òscar
out url icon DUGiDocs 20 maig 2024 Oriented external electric fields in chemistry: development and application of new methods to simulate molecular response properties and reactivity Besalú Sala, Pau
out url icon Recercat Reactivity of fullerenes, endohedral metallofullerenes, and nanotubes, and their possible application in solar energy conversion Martínez López, Juan Pablo
doc icon DUGiDocs 18 novembre 2016 Reactivity of fullerenes, endohedral metallofullerenes, and nanotubes, and their possible application in solar energy conversion Martínez López, Juan Pablo
doc icon DUGiDocs 20 juliol 2016 Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts Acuña-Parés, Ferran
out url icon Recercat Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts Acuña-Parés, Ferran
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