"Quantum Chemical Studies of Endofullerenes (M@C60) Where M = H2O, Li+, Na+, K+, Be2+, Mg2+, and Ca2+"
written by Osmair Vital de Oliveira, Arlan da Silva Gonçalves,
published by Computational Chemistry, Vol.2 No.4, 2014
has been cited by the following article(s):
  • Google Scholar
  • CrossRef
[1] Structure, stability, and electronic structure properties of quasi-fullernes Cn-q (n= 42, 48 and 60) doped with transition metal atoms (M= Sc, Ti, V and Cr): A Density …
[2] Interactions between a water molecule and C60 in the endohedral fullerene H2O@ C60
[3] Spin density transfer from guest to host in endohedral heterofullerene dimers
[4] The effect of encapsulation of lithium atom on supramolecular triad complexes performance in solar cell by using theoretical approach
Adsorption, 2019
[5] Interactions between a water molecule and C 60 in the endohedral fullerene H 2 O@ C 60
[6] Síntese e caracterização de biocarvões ativados a partir de resíduos de biomassa aplicados na remoção de herbicida 2, 4-D em água
[7] Are Small Quasi‐Fullerenes Capable of Encapsulating Trimetallic Nitrides A3‐xBxN (A, B =Sc, Y, La, x=0‐3)? A DFT Study
[8] Evidence for Jahn-Teller effects in endohedral fullerenes
[9] A Fully Coupled Quantum Treatment of Nanoconfined Systems: a Water Molecule inside a Fullerene C60.
Journal of Chemical Theory and Computation, 2018
[10] Molecular dynamics simulation of the cyclotron motion of ions in a carbon nanotorus induced by gigahertz rotating electric field
Molecular Simulation, 2018
[11] Theoretical Study of Addition Reactions of L4M(M = Rh, Ir) and L2M(M = Pd, Pt) to Li+@C60
The Journal of Physical Chemistry A, 2017
[12] A Theoretical Study of Addition Reactions of L4M (M= Rh, Ir) and L2M (M= Pd, Pt) to Li+@ C60
The Journal of Physical Chemistry A, 2017
[13] Structure, Stability and Properties of Boron Encapsulated Complexes of C60, C59B and C59N
The Journal of Physical Chemistry A, 2017
[14] Free radical scavenger properties of metal-fullerenes: C60 and C82 with Cu, Ag and Au (atoms and tetramers)
Computational and Theoretical Chemistry, 2017
[15] Polarons in endohedral Li+@ C60-dimers and in 1D and 2D crystals
Solid State Communications, 2017
[16] Potential energy and dipole moment surfaces for HF@C60: Prediction of spectral and electric response properties
[17] Theoretical study of hydration free energy of the C60, Li@ C60, Na@ C60 and K@ C60
[18] Investigation of the Stability of Indole and Analogue Rings Using Quantum Mechanics Computation
[19] Spin-Spin Coupling in Nitrogen Atom Encapsulated C60, C59N and their Respective Dimers
The Journal of Physical Chemistry A, 2016
[20] Probing Thermal Conductivity of Fullerene C60 Hosting a Single Water Molecule
The Journal of Physical Chemistry C, 2015
[21] Computational studies of the Ca12O12, Ti12O12, Fe12O12 and Zn12O12 nanocage clusters