Browsing Articles publicats (D-Q) by Subject "Fullerenes"

Linear and Nonlinear Optical Properties of [60]Fullerene Derivatives

Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+

Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C28

The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity

The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes

Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster

Electrochemical control of the regioselectivity in the exohedral functionalization of C60: The role of aromaticity

Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes

Aromaticity as the driving force for the stability of non-IPR endohedral metallofullerene Bingel-Hirsch adducts

Why do cycloaddition reactions involving C60 prefer [6,6] over [5,6] bonds?

Diels-Alder and Retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C2v-C82: Regioselectivity and product stability

Corrigendum: Diels-Alder and Retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C2v-C82: Regioselectivity and product stability (Chemistry - A European Journal (2013) 19 DOI:10.1002/chem.201203517)

Communication: An approximation to Bader's topological atom

A complete guide on the influence of metal clusters in the diels-alder regioselectivity of Ih-C80 endohedral metallofullerenes

Sponge-like molecular cage for purification of fullerenes

Why bistetracenes are much less reactive than pentacenes in Diels-Alder reactions with fullerenes

The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes

Essential factors for control of the equilibrium in the reversible rearrangement of M3N@Ih-C80 fulleropyrrolidines: Exohedral functional groups versus endohedral metal clusters

Enantiospecific cis-trans isomerization in chiral fulleropyrrolidines: Hydrogen-bonding assistance in the carbanion stabilization in H2O@C60

Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study

Rapid determination of polarizability exaltation in fullerene-based nanostructures

Article embargoed access ​

​

Understanding the reactivity of endohedral metallofullerenes: C78 versus Sc3N@C78

Bis-1,3-dipolar Cycloadditions on Endohedral Fullerenes M3N@Ih‑C80 (M = Sc, Lu): Remarkable Endohedral-Cluster Regiochemical Control

The Regioselectivity of Bingel-Hirsch Cycloadditions on Isolated Pentagon Rule Endohedral Metallofullerenes