Density functional theory
Listing items with Subject "Density functional theory"
10 items found
Showing titles from 0 to 10:
| Format | Date | Title | Author |
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| Format | Date | Title | Author |
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2017 November 17 |
Computational study of nuclear magnetic shielding constants |
Castro Aguilera, Abril Carolina
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2025 April 24 |
DFT calculations towards predictive organo/organometallic chemistry |
Tomasini, Michele
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2024 July 15 |
Exploring the reactivity of in situ generated metal vinylcarbenes |
D铆az Jim茅nez, 脌lex
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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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2024 May 20 |
Oriented external electric fields in chemistry: development and application of new methods to simulate molecular response properties and reactivity |
Besal煤 Sala, Pau
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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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