Flores Moreno Roberto

PUBLICADOS (2010 - 2016) 21.

2016 (3 Artículos)

1) Héctor O González-Ochoa, Roberto Flores-Moreno, Luz M Reyes. Extended source model for diffusive coupling. The European Physical Journal E. 2016.

2) Norberto Casillas Santana, Roberto Flores-Moreno. Role of Defects on Regioselectivity of Nano Pristine Graphene. The Journal of Physical Chemistry A.2016

3) Roberto Flores-Moreno. Analytic Second Derivatives from Auxiliary Density Perturbation Theory. The Journal of Chemical Physics. 2016.

2014 (5 Artículos)

4)  R. A. Delgado-Alfaro; A. A. Ramos-Organillo; R. Flores-Moreno; Z. Gómez-Sandoval. Antiradical capacity of a series of organotin (IV) compounds: A chemical reactivity study in the density functional theory framework. Inorganica Chimica Acta. Vol. 413, pp. 143-148. 2014.

5)  C. I. Méndez-Barrientos; R. Flores-Moreno; J. Muñoz-Maciel; J.G. Rodríguez-Zavala. 13C NMR and Fukui funtion analysis on C82 hydroxylated fullerene through density functional theory. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics. Vol. 112, No. 15, pp. 1987-1999. 2014.

6)  Teresa Tamayo-Mendoza; Roberto Flores-Moreno. Symbolic algebra development for higher-order electron propagator formulation and implementation. Journal of Chemical Theory and Computation. Vol. 10, No. 6, pp. 2363-2370. 2014.

7)  R. Flores-Moreno; E. F. Posada; F. Moncada; J. Romero; J. Charry; M. A. Díaz-Tinoco; S. A. Gonzáles; N. F. Aguirre; A. Reyes. LOWDIN: The any particle molecular orbital code. International Journal of Quantum Chemistry. Vol. 114, No. 1, pp. 50-56. 2014.

8)  Jonathan Romero; Jorge A. Charry; Roberto Flores-Moreno; Marcio T. do N. Varella; Andrés Reyes. Calculation of positron bonding energies using the generalized any particle propagator theory. The Journal of Chemical Physics. Vol. 141, No. 11, pp. 114103.1-114103.18. 2014.

2013 (3 Artículos)

9)  M. Diaz-Tinoco; J. Romero; J. V. Ortiz; A. Reyes; R. Flores-Moreno. A generalized any-particle propagator theory: Prediction of proton affinities and acidity properties with the proton propagator. The Journal of Chemical Physics. Vol. 138, No. 19. 2013.

10)  K. Pineda-Urbina; R. D. Guerrero; A. Reyes; Z. Gómez-Sandoval; R. Flores-Moreno. Shape entropy's response to molecular ionization. Journal of Molecular Modeling. Vol. 19, No. 4, pp. 1677-1683. 2013.

11)  Cuauhtemoc Samaniego; Jaime Gustavo Rodríguez-Zavala; Francisco J. Tenorio; Roberto Flores-Moreno. Ab Initio Study of 2H Nuclear Quadrupole Coupling Constants in Deuterated Crystalline Oxalic Acid Dehydrated Polymorphs. Molecular Crystals and Liquid Crystals. Vol. 575, No. 1. 2013.

2012 (5 artículos)

12)      G. Geudtner; P. Calaminici; J. Carmona-Espindola; J. M. del Campo; V. D. Dominguez-Soria; Roberto Flores-Moreno; G. U. Gamboa; A. Goursot; A. M. Koster; J. U. Reveles; T. Mineva; J. M. Vasquez-Perez; A. Vela; B. Zuninga-Gutierrez; D. R. Salahub. deMon2k. Computational Molecular Science. Vol. 2, No. 4, pp. 548-555. 2012.

13)      Moncada, Félix; Posada, Edwin; Flores-Moreno, Roberto; Reyes, Andrés. Non-Born-Oppenheimer self consistent field calculations with cubic scaling. Chemical Physics. Vol. 400, pp. 103-107. 2012.

14)      Jonathan Romero; Edwin Posada; Roberto Flores-Moreno; Andrés Reyes. A generalized any particle propagator theory: Assessment of nuclear quantum effects on electron propagator calculations.  Journal of Chemical Physics. Vol. 137, No. 7. 2012.

15)      Javier Carmona-Espíndola; Roberto Flores-Moreno; Andreas M. Köster. Static and dynamic first hyperpolarizabilities from time-dependent auxiliary density perturbation theory. International Journal of Quantum Chemistry. Vol. 112, No. 21, pp. 3461–3471. 2012.

16)  Guzmán-Ramírez, Gregorio; Tenorio, Francisco José; Rodríguez-Zavala, Jaime Gustavo; Flores-Moreno, Roberto. Auxiliary Density Perturbation Theory for Restricted Open-Shell Systems. Journal of the Mexican Chemical Society. Vol. 56, No. 3, pp. 325-330. 2012.

2011 (1 Artículo)

17)      Rodríguez-Zavala J.G.; Tenorio F.J.; Samaniego C.; Méndez-Barrientos C.I.; Peña-Lecona F.G.; Muñoz-Maciel J.; Flores-Moreno R. Theoretical study on the sequential hydroxylation of C82 fullerene based on Fukui function.Molecular Physics. Vol. 109, No. 14, pp. 1771-1783. 2011.

2010 (4 Artículos)

18)      Roberto Flores-Moreno; J. V. Ortiz. Efficient and accurate electron propagator methods and algorithms. Practical Aspects of Computational Chemistry. Capítulo 2, pp. 1-17. 2010.

19)      Roberto Flores-Moreno. Symmetry Conservation in Fukui Functions. Journal of Chemical Theory and Computation. Vol. 6, No. 1, pp. 48–54. 2010.

20)      Carmona-Espíndola J.; Flores-Moreno R.; Köster A.M. Time-dependent auxiliary density perturbation theory.Journal of Chemical Physics. Vol. 133, No. 8. 2010.

21)      R. Flores-Moreno; J. Melin; O. Dolgounitcheva; V. G. Zakrzewski; J. V. Ortiz. Three approximations to the nonlocal and energy-dependent correlation potential in electron propagator theory. International Journal of Quantum Chemistry. Vol. 110, No. 3, pp. 706–715. 2010.