Density functional theory

Listing items with Subject "Density functional theory"

7 items found

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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2017 November 17 Computational study of nuclear magnetic shielding constants Castro Aguilera, Abril Carolina
doc icon DUGiDocs 2017 February 24 New carbocyclisations of polyunsaturated hydrazones catalysed by rhodium(I) Torres Ant贸n, 脪scar
out url icon Recercat New carbocyclisations of polyunsaturated hydrazones catalysed by rhodium(I) Torres Ant贸n, 脪scar
out url icon Recercat Reactivity of fullerenes, endohedral metallofullerenes, and nanotubes, and their possible application in solar energy conversion Mart铆nez L贸pez, Juan Pablo
doc icon DUGiDocs 2016 November 18 Reactivity of fullerenes, endohedral metallofullerenes, and nanotubes, and their possible application in solar energy conversion Mart铆nez L贸pez, Juan Pablo
doc icon DUGiDocs 2016 July 20 Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts Acu帽a-Par茅s, Ferran
out url icon Recercat Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts Acu帽a-Par茅s, Ferran
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