Density functional theory
Listing items with Subject "Density functional theory"
7 items found
Showing titles from 0 to 7:
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2017 November 17 |
Computational study of nuclear magnetic shielding constants |
Castro Aguilera, Abril Carolina
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2017 February 24 |
New carbocyclisations of polyunsaturated hydrazones catalysed by rhodium(I) |
Torres Ant贸n, 脪scar
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New carbocyclisations of polyunsaturated hydrazones catalysed by rhodium(I) |
Torres Ant贸n, 脪scar
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Reactivity of fullerenes, endohedral metallofullerenes, and nanotubes, and their possible application in solar energy conversion |
Mart铆nez L贸pez, Juan Pablo
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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
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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
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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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