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Chemistry – A European Journal, ISSN 0947-6539, 10/2014, Volume 20, Issue 43, pp. 14032 - 14039
The effects of exohedral moieties and endohedral metal clusters on the isomerization of M 3 N@ I h ‐ C 80 products from the Prato reaction through... 
fullerenes | isomerization | Prato reaction | DFT calculations | nitrogen heterocycles | Fullerenes | Nitrogen heterocycles | Isomerization | Thermodynamics | Equilibrium | Spectrum analysis | Derivatives | Compostos heterocíclics | Ful·lerens | Isomerització | Heterocyclic compounds
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 6/2014, Volume 43, Issue 14, pp. 589 - 515
The encapsulation of metal clusters in endohedral metallofullerenes (EMFs) takes place in cages that in most cases are far from being the most stable isomer in... 
Encapsulation | Molecular structure | Aromaticity | Fullerenes | Clusters | Cages | Criteria | EMF
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 08/2013, Volume 52, Issue 35, pp. 9275 - 9278
Encapsulating! The encapsulation of metal clusters in endohedral metallofullerenes takes place in cages that, in most cases, are far from being the most stable... 
maximum aromaticity criterion | fullerenes | computational chemistry | endohedral metallofullerenes | aromaticity | ENERGY | APPROXIMATION | STABILITY | STABILIZATION | REACTIVITY | MATERIALS SCIENCE | REGIOSELECTIVITY | CHEMISTRY, MULTIDISCIPLINARY | C-60 | INDEXES
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 17, pp. 11577 - 11585
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 10/2013, Volume 19, Issue 44, pp. 14931 - 14940
The chemical functionalization of endohedral metallofullerenes (EMFs) has aroused considerable interest due to the possibility of synthesizing new species with... 
regioselectivity | density functional calculations | fullerenes | cycloaddition | metal clusters | Diels‐Alder reactions | Diels-Alder reactions | Thermodynamics | Butadiene | Fullerenes
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 01/2015, Volume 137, Issue 1, pp. 58 - 61
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 08/2018, Volume 24, Issue 47, pp. 12254 - 12258
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 02/2016, Volume 55, Issue 7, pp. 2374 - 2377
Journal Article
Chemistry: A European Journal, ISSN 0947-6539, 2016, Volume 22, Issue 17, pp. 5953 - 5962
We quantum chemically explore the thermodynamics and kinetics of all 65 possible mechanistic pathways of the Bingel–Hirsch addition of dimethyl bromomalonate... 
regioselectivity | density functional calculations | endohedral metallofullerenes | reaction mechanisms | fullerenes | La@ | Bingel–Hirsch reaction | Bingel-Hirsch reaction | La@C | Derivatives (Financial instruments) | Thermodynamics | Dimethyl | Pathways | Regioselectivity | Mathematical analysis | Reaction kinetics | Chemical bonds | Kinetics | Derivatives | Carbon | Dispersion
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 04/2013, Volume 19, Issue 14, pp. 4468 - 4479
One of the most important reactions in fullerene chemistry is the Diels–Alder (DA) reaction. In two previous experimental studies, the DA cycloaddition... 
regioselectivity | fullerenes | cycloaddition | lanthanum | Diels–Alder reaction | Diels-Alder reaction | Rare earth metals | Thermodynamics | Furans | Cyclopentadiene
Journal Article
Chemical Communications, ISSN 1359-7345, 2017, Volume 53, Issue 2, pp. 284 - 297
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 07/2014, Volume 43, Issue 14, pp. 5089 - 5105
Journal Article