Results 111 to 120 of about 1,538 (201)

Theoretical exploration of noncovalent interactions in Sc₂C₂@C_2n (n = 40, 41, and 42)⊂[12]CPP, PF[12]CPP. [PDF]

RSC Adv, 2023
Liu Y, Li W, Li P, Guo Y, Cui P, Zhang Z.   +5 more
europepmc   +1 more source

Magnetic Properties of Heavy Rare-Earth Metallofullerenes M@C₈₂ (M = Gd, Tb, Dy, Ho, and Er)

, 2000
We have conducted a comprehensive study on the magnetic properties of five heavy rare-earth metallofullerenes M@C82 (M = Gd, Tb, Dy, Ho, Er) in the temperature range of 1.8 and 300 K at a magnetic field up to 5 T.
Zhang, Xixiang, Huang, Houjin, Yang, Shihe   +2 more
core  

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

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

Orientationally Resolved Electron-Spin Relaxation and Coherence in Fullerene-Encapsulated Rare-Earth Dimers with a Single-Electron Metal-Metal Bond. [PDF]

J Am Chem Soc
Zalibera M, Spree L, Liu F, Rosenkranz M, Rapatskiy L, Schnegg A, Popov AA.   +6 more
europepmc   +1 more source

Theoretical characterisation of metallofullerenes

, 2005
INFORME FINAL"Alguns importants descobriments de la ciència són accidentals. Això fou, certament, el cas del ful·lerè C60. Quan ara fa quatre anys, l'any 2000, vaig iniciar el treball d'investigació sobre els metal·loful·lerens m'havien arribat veus de la importància mediàtica d'aquestes noves estructures però no de la intensa història del seu ...
openaire   +2 more sources

Molecular spin sensor for in-situ monitoring of crystallization behavior and phase transition in aromatic materials. [PDF]

Nat Commun
Liu L, Zhao C, Zhang Y, Zhang Z, Wang C, Wang T.   +5 more
europepmc   +1 more source

20-State Molecular Switch in a Li@C₆₀ Complex. [PDF]

ACS Omega, 2023
Ismael AK.
europepmc   +1 more source

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

DFT calculations towards the geometry optimization, electronic structure, infrared spectroscopy and UV-vis analyses of Favipiravir adsorption on the first-row transition metals doped fullerenes; a new strategy for COVID-19 therapy. [PDF]

Spectrochim Acta A Mol Biomol Spectrosc, 2021
Rad AS, Ardjmand M, Esfahani MR, Khodashenas B.   +3 more
europepmc   +1 more source