Results 91 to 100 of about 4,816 (182)

Boron-Doped Endohedral Metallofullerenes: Synthesis and Computational Analysis of a Family of Heteroatom-Doped Molecular Carbons. [PDF]

Inorg Chem
Moreno-Vicente A, Schardt S, Dunk PW, Poblet JM, Rodríguez-Fortea A.   +4 more
europepmc   +1 more source

Probing the formation of halogenated endohedral metallofullerenes: Predictions confirmed by experiments

, 2018
The functionalization of endohedral metallofullerenes by halogenation has not been previously reported and remains a challenging endeavor in carbon nanoscience.
Moreno-Vicente A., Mulet-Gas M., Dunk P., Poblet J., Rodríguez-Fortea A.
core  

Theoretical Study on a Supramolecular Dimeric Structure Constructed by Metallofullerene Y₃N@C₈₀ and Figure-of-Eight Nanoring. [PDF]

ACS Omega, 2023
Liu L, Liu Y, Zhang Z, Wang T.
europepmc   +1 more source

Supramolecular Mask-Mediated Regioselective bis-Bingel-Functionalization of M3N@Ih-C80 (M = Lu, Sc). [PDF]

J Am Chem Soc
Iannace V, Sabrià C, Zhu S, Stasyuk OA, Solà M, Parella T, Fernández S, Gándara F, Imaz I, Maspoch D, Zhang J, Feixas F, Ribas X.   +12 more
europepmc   +1 more source

Rational Design, Stabilities and Nonlinear Optical Properties of Non-Conventional Transition Metalides; New Entry into Nonlinear Optical Materials. [PDF]

Materials (Basel), 2023
Alkhalifah MA, Sheikh NS, Al-Faiyz YSS, Bayach I, Ludwig R, Ayub K.   +5 more
europepmc   +1 more source

Theoretical Insights into the Stability and Electronic Properties of Sc₃N@C₇₄. [PDF]

ACS Omega
Gu YX, Wan JY, Gao BQ, Li DH, Li MY, Guo Y.   +5 more
europepmc   +1 more source

Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study. [PDF]

ACS Omega, 2023
Sarfaraz S, Yar M, Hussain A, Lakhani A, Gulzar A, Ans M, Ans M, Rashid U, Hussain M, Muhammad S, Bayach I, Sheikh NS, Ayub K.   +12 more
europepmc   +1 more source

Unveiling Extraction Bottlenecks by Analyzing Clusters Containing Lithium-Ion Endohedral Fullerene. [PDF]

ACS Omega
Kwon E, Nasukawa N, Sato T, Matsubara M, Yoshida SI, Kawachi K, Kasama Y, Takeda M.   +7 more
europepmc   +1 more source

Single crystal structures and theoretical calculations of uranium endohedral metallofullerenes (U@C_2n , 2n = 74, 82) show cage isomer dependent oxidation states for U. [PDF]

Chem Sci, 2017
Cai W, Morales-Martínez R, Zhang X, Najera D, Romero EL, Metta-Magaña A, Rodríguez-Fortea A, Fortier S, Chen N, Poblet JM, Echegoyen L.   +10 more
europepmc   +1 more source

Relaxation of magnetization in Dy₂ and Tb₂ dimers with single-electron lanthanide-lanthanide bonds: the effect of cage perturbation and its ultimate symmetry. [PDF]

Chem Sci
Felipe de Souza Barbosa M, Yang W, Wang Y, Velkos G, Avdoshenko SM, Liu F, Popov AA.   +6 more
europepmc   +1 more source