Theoretical Study of Graphyne Doped with N Atoms. The quest for novel catalytic Materials,
C.A. Celaya, J. Muñiz, L.E. Sansores,
Fuel 235, 384-395, 2019, DOI 10.1016/j.fuel2018.07.096

M@C50 as Higher Intermediates towards Large Endohedral Metallofullerenes: Theoretical Characterization, Aromatic and Bonding Properties from Relativistic DFT Calculations,
A. Miralrio, A. Muñoz-Castro, R. B. King, L.E. Sansores,
J. Phys. Chem. C, 123, 1429-1443, 2019, DOI: 10.1021/acs.jpcc.8b08789.

Electronic peculiarities of a Self-Assembled M12L24 nanoball (M=Pd+2, Cr, or Mo),
R.M. Del Castillo, R. Salcedo, A. Martinez, E. Ramos, L.E. Sansores,
Molecules, 24, 771. 2019, doi:10.3390/molecules24040771.

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 Functional Theory study,
C. Celaya, J. Muñiz, L.E. Sansores Cuevas,
Computational and Theoretical Chemistry, 1152, 7-19, 2019. doi.org/10.1016/j.comptc.2019.02.008.

Trapping of CO2 by Cr-Cr quintuple bonds. A theoretical approach,
R. Salcedo; C. Rios; A. Martinez; E. Sansores,
Polyhedron 163, 153-160, 2019. doi.org/10.1016/j.poly.2019.02.028

Molecular knot with nine crossings: Structure and electronic properties from Density Functional Theory computation,
C.A. Celaya, R. Salcedo L.E. Sansores,
J. Mol. Graph. Modeling 94, 107481, 2019. doi.org/10.1016/j.jmgm.2019.107481