"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):
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[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 …
2019
[2] Interactions between a water molecule and C60 in the endohedral fullerene H2O@ C60
2019
[3] Spin density transfer from guest to host in endohedral heterofullerene dimers
2019
[4] Síntese e caracterização de biocarvões ativados a partir de resíduos de biomassa aplicados na remoção de herbicida 2, 4-D em água
2018
[5] Are Small Quasi‐Fullerenes Capable of Encapsulating Trimetallic Nitrides A3‐xBxN (A, B =Sc, Y, La, x=0‐3)? A DFT Study
2018
[6] Evidence for Jahn-Teller effects in endohedral fullerenes
2018
[7] A Fully Coupled Quantum Treatment of Nanoconfined Systems: a Water Molecule inside a Fullerene C60.
Journal of Chemical Theory and Computation, 2018
[8] Molecular dynamics simulation of the cyclotron motion of ions in a carbon nanotorus induced by gigahertz rotating electric field
Molecular Simulation, 2018
[9] 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
[10] 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
[11] Structure, Stability and Properties of Boron Encapsulated Complexes of C60, C59B and C59N
The Journal of Physical Chemistry A, 2017
[12] Free radical scavenger properties of metal-fullerenes: C60 and C82 with Cu, Ag and Au (atoms and tetramers)
Computational and Theoretical Chemistry, 2017
[13] Polarons in endohedral Li+@ C60-dimers and in 1D and 2D crystals
Solid State Communications, 2017
[14] Potential energy and dipole moment surfaces for HF@C60: Prediction of spectral and electric response properties
2017
[15] Theoretical study of hydration free energy of the C60, Li@ C60, Na@ C60 and K@ C60
2017
[16] Investigation of the Stability of Indole and Analogue Rings Using Quantum Mechanics Computation
2016
[17] Spin-Spin Coupling in Nitrogen Atom Encapsulated C60, C59N and their Respective Dimers
The Journal of Physical Chemistry A, 2016
[18] Probing Thermal Conductivity of Fullerene C60 Hosting a Single Water Molecule
The Journal of Physical Chemistry C, 2015
[19] Computational studies of the Ca12O12, Ti12O12, Fe12O12 and Zn12O12 nanocage clusters
2015
[20] The effect of encapsulation of lithium atom on supramolecular triad complexes performance in solar cell by using theoretical approach