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1

Exploring the Structure, Energetic, and Magnetic Properties of Neutral Small Lithium Clusters Doped with Yttrium: Supermagnetic Atom Research

Mojica-Sánchez, Juan Pablo, Flores-Moreno, Roberto, Pineda-Urbina, Kayim, Gómez-Sandoval, Zeferino

Journal:

Year:

2018

Language:

english

File:

PDF, 5.55 MB

english, 2018

2

Influence of Endohedral Confinement on the Electronic Interaction between He atoms: A He2@C20H20 Case Study

Erick Cerpa, Andreas Krapp, Roberto Flores-Moreno, Kelling J. Donald, Gabriel Merino

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 376 KB

english, 2009

3

Half-numerical evaluation of pseudopotential integrals

Roberto Flores-Moreno, Rodrigo J. Alvarez-Mendez, Alberto Vela, Andreas M. Köster

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 296 KB

english, 2006

4

Static and dynamic first hyperpolarizabilities from time-dependent auxiliary density perturbation theory

Javier Carmona-Espíndola, Roberto Flores-Moreno, Andreas M. Köster

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 194 KB

english, 2012

5

Non-Born–Oppenheimer self-consistent field calculations with cubic scaling

Félix Moncada, Edwin Posada, Roberto Flores-Moreno, Andrés Reyes

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 254 KB

english, 2012

6

A generalized any particle propagator theory: Assessment of nuclear quantum effects on electron propagator calculations

Romero, Jonathan, Posada, Edwin, Flores-Moreno, Roberto, Reyes, Andrés

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 442 KB

english, 2012

7

Time-dependent auxiliary density perturbation theory

Carmona-Espíndola, Javier, Flores-Moreno, Roberto, Köster, Andreas M.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 509 KB

english, 2010

8

Symmetry Conservation in Fukui Functions

Flores-Moreno, Roberto

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 3.34 MB

english, 2010

9

A generalized any-particle propagator theory: Prediction of proton affinities and acidity properties with the proton propagator

Díaz-Tinoco, Manuel, Romero, Jonathan, Ortiz, J. V., Reyes, Andrés, Flores-Moreno, Roberto

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

10

Efficient evaluation of analytic Fukui functions

Flores-Moreno, Roberto, Melin, Junia, Ortiz, J. V., Merino, Gabriel

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 470 KB

english, 2008

11

Assessment of transition operator reference states in electron propagator calculations

Flores-Moreno, Roberto, Zakrzewski, V. G., Ortiz, J. V.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 405 KB

english, 2007

12

LOWDIN: The any particle molecular orbital code

Flores-Moreno, Roberto, Posada, Edwin, Moncada, Félix, Romero, Jonathan, Charry, Jorge, Díaz-Tinoco, Manuel, González, Sergio A., Aguirre, Néstor F., Reyes, Andrés

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 753 KB

english, 2014

13

Symbolic Algebra Development for Higher-Order Electron Propagator Formulation and Implementation

Tamayo-Mendoza, Teresa, Flores-Moreno, Roberto

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 679 KB

english, 2014

14

Auxiliary density perturbation theory

Flores-Moreno, Roberto, Köster, Andreas M.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 640 KB

english, 2008

15

Calculation of positron binding energies using the generalized any particle propagator theory

Romero, Jonathan, Charry, Jorge A., Flores-Moreno, Roberto, Varella, Márcio T. do N., Reyes, Andrés

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.67 MB

english, 2014

16

Efficient and reliable numerical integration of exchange-correlation energies and potentials

Köster, Andreas M., Flores-Moreno, Roberto, Reveles, J. Ulises

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 829 KB

english, 2004

17

Structures and vibrations of Nb[sub 3]O and Nb[sub 3]O[sup −]: A density functional study

Calaminici, Patrizia, Flores-Moreno, Roberto, Köster, Andreas M.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 422 KB

english, 2004

18

Integral approximations in ab initio, electron propagator calculations

Flores-Moreno, Roberto, Ortiz, J. V.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 517 KB

english, 2009

19

Extended source model for diffusive coupling

González-Ochoa, Héctor O., Flores-Moreno, Roberto, Reyes, Luz M., Femat, Ricardo

Journal:

The European Physical Journal E

Year:

2016

Language:

english

File:

PDF, 802 KB

english, 2016

20

Role of Defects on Regioselectivity of Nano Pristine Graphene

Kudur Jayaprakash, Gururaj, Casillas, Norberto, Astudillo-Sánchez, Pablo D., Flores-Moreno, Roberto

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 4.23 MB

english, 2016

21

Initial stage of the degradation of three common neonicotinoids: theoretical prediction of charge transfer sites

García-Hernández, Erwin, Flores-Moreno, Roberto, Vázquez-Mayagoitia, Álvaro, Vargas, Rubicelia, Garza, Jorge

Journal:

New Journal of Chemistry

Year:

2017

Language:

english

File:

PDF, 2.42 MB

english, 2017

22

Analytic second derivatives from auxiliary density perturbation theory

Delgado-Venegas, Rogelio Isaac, Mejía-Rodríguez, Daniel, Flores-Moreno, Roberto, Calaminici, Patrizia, Köster, Andreas M.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 517 KB

english, 2016

23

Theoretical calculation of polarizability isotope effects

Moncada, Félix, Flores-Moreno, Roberto, Reyes, Andrés

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 1003 KB

english, 2017

24

Quantum chemical study of TX-100 modified graphene surface

Jayaprakash, Gururaj Kudur, Flores-Moreno, Roberto

Journal:

Electrochimica Acta

Year:

2017

Language:

english

File:

PDF, 3.59 MB

english, 2017

25

AIP Conference Proceedings [AIP Publishing LLC PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010) - Kos, Greece (3–8 October 2010)] - Calculation of hyperpolarizabilities with auxiliary density perturbation theory

Flores-Moreno, Roberto, Carmona-Espíndola, Javier, Köster, Andreas M.

Year:

2015

Language:

english

File:

PDF, 925 KB

english, 2015

26

h function: A protonic take on the numerical Fukui function as a graphical descriptor for deprotonation

Pineda-Urbina, Kayim, Gómez-Sandoval, Zeferino, Flores-Moreno, Roberto

Journal:

International Journal of Quantum Chemistry

Year:

2017

Language:

english

File:

PDF, 744 KB

english, 2017

27

Analytical Fukui and cyclic voltammetric studies on ferrocene modified carbon electrodes and effect of Triton X-100 by immobilization method

Jayaprakash, Gururaj Kudur, Swamy, Bahaddurghatta Eshwaraswamy Kumara, Casillas, Norberto, Flores-Moreno, Roberto

Journal:

Electrochimica Acta

Year:

2017

Language:

english

File:

PDF, 6.15 MB

english, 2017

28

Quantum chemical and electrochemical studies of lysine modified carbon paste electrode surface for sensing dopamine.

Kudur Jayaprakash, Gururaj, Kumara Swamy, B. E., Nicole González Ramírez, Henry, Tumbre Ekanthappa, Musturappa, Flores-Moreno, Roberto

Journal:

New Journal of Chemistry

Year:

2018

Language:

english

File:

PDF, 3.72 MB

english, 2018

29

Local density fitting applied to second order propagator equations for core electron binding energies

Villalobos-Castro, J.D.J., Guerrero-Cruz, José A., Zuniga-Gutierrez, Bernardo, Flores-Moreno, Roberto

Journal:

Computational and Theoretical Chemistry

Year:

2018

Language:

english

File:

PDF, 392 KB

english, 2018

30

Regioselectivity in hexagonal boron nitride co-doped graphene

Jayaprakash, Gururaj Kudur, Flores-Moreno, Roberto

Journal:

New Journal of Chemistry

Year:

2018

Language:

english

File:

PDF, 2.93 MB

english, 2018

31

Calculation of the EPR g-tensor from auxiliary density functional theory

Zuniga-Gutierrez, Bernardo, Medel-Juarez, Victor, Varona, Andres, González Ramírez, Henry Nicole, Flores-Moreno, Roberto

Journal:

The Journal of Chemical Physics

Year:

2020

Language:

english

File:

PDF, 1.74 MB

english, 2020

32

Calculation of the EPR g-tensor from auxiliary density functional theory

Zuniga-Gutierrez, Bernardo, Medel-Juarez, Victor, Varona, Andres, González Ramírez, Henry Nicole, Flores-Moreno, Roberto

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.74 MB

2020

33

Homogeneous electron-transfer reaction between anionic species of anthraquinone derivatives and molecular oxygen in acetonitrile solutions: Electrochemical properties of disperse red 60

Rocha-Ortiz, Gilberto, Tessensohn, Malcolm E., Salas-Reyes, Magali, Flores-Moreno, Roberto, Webster, Richard D., Astudillo-SÃ¡nchez, Pablo D.

Journal:

Electrochimica Acta

Year:

2020

File:

PDF, 6.26 MB

2020

34

Remote screening of retinal and optic disc diseases using handheld nonmydriatic cameras in programmed routine occupational health checkups onsite at work centers

Zapata, Miguel A., MartÃn, Ruth, Garcia-ArumÃ, Claudia, Fonollosa, Alex, Flores-Moreno, Ignacio, Gallego-Pinazo, Roberto, GutiÃ©rrez, Estanislao, Abraldes, Maximino, Zarranz-Ventura, Javier

Journal:

Graefe's Archive for Clinical and Experimental Ophthalmology

Year:

2020

File:

PDF, 882 KB

2020