Morella Sanchez: search on Z-Library

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1

Methodologies to analyze surface bonding properties using parametric and density functional methods

Fernando Ruette, Morella Sánchez, Olga Castellano, Humberto Soscún

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 271 KB

english, 2010

2

Simulation of residual biomass gasification in fluidized bed reactor: Preliminary study of the efficiency of the process with temperature

Durán-García, Martín Enrique, Zeppieri, Susana, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 335 KB

english, 2017

3

Theoretical modeling of molecular interactions of iron with asphaltenes from heavy crude oil

Sergio Rosales, Iván Machín, Morella Sánchez, Guaicaipuro Rivas, Fernando Ruette

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2006

Language:

english

File:

PDF, 382 KB

english, 2006

4

Diatomic molecule data for parametric methods. I

Fernando Ruette, Morella Sánchez, Rafael Añez, Aleida Bermúdez, Anibal Sierraalta

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 307 KB

english, 2005

5

Hydrogen atom chemisorption and diffusion on neutral and charged polycyclic aromatic hydrocarbon (PAH) flakes in the interstellar media

Sánchez, Morella, Ruette, Fernando

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.06 MB

english, 2015

6

Optimal pre-sulfidation of the β-Mo2C surface (001) in the chlorobencene hydrodechlorination: An electrostatic potential study

Velásquez, M., Rodríguez, J., Bastardo, A., Añez, R., Coll, D.S., Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 1.19 MB

english, 2017

7

Modeling extra framework aluminum (EFAL) formation in the zeolite ZSM-5 using parametric quantum and DFT methods

Orlando Lisboa, Morella Sánchez, Fernando Ruette

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2008

Language:

english

File:

PDF, 1.32 MB

english, 2008

8

The performance of HF and DFT/B3LYP in the estimation of the radiative efficiencies of greenhouse gases

Davila, Keyra L., Seijas, Luis E., Almeida, Rafael, Rincón, Luis, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 353 KB

english, 2017

9

An application of molecular reconstruction for light petroleum cuts via entropy maximization

Pernalete, César, Ruette, Fernando, Peraza, Alexander, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 808 KB

english, 2017

10

Analysis of parametric functionals in semiempirical approaches using simulation techniques

Juan R. Primera, Morella Sánchez, Mirba Romero, Anibal Sierraalta, Fernando Ruette

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 259 KB

english, 1999

11

Electronic study of carbon nanotube (6,0) doped with transition metals: Copper, silver and gold

Dasilva, S., López-Planes, R., Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 1.24 MB

english, 2017

12

Calculations of adsorption energies, coadsorptions, and diffusion barriers of H atoms, and the H 2 formation on a nanographene surface (coronene)

Sánchez, Morella, Ruette, Fernando

Journal:

International Journal of Quantum Chemistry

Year:

2019

Language:

english

File:

PDF, 2.63 MB

english, 2019

13

Study of template interactions in MFI and MEL zeolites using quantum methods

Sánchez, Morella, Díaz, Rafael D., Córdova, Tania, González, Gema, Ruette, Fernando

Journal:

Microporous and Mesoporous Materials

Year:

2015

Language:

english

File:

PDF, 1.65 MB

english, 2015

14

An ab initio and DFT study of the interaction between ethanethiol and zeolites

Humberto Soscún, Olga Castellano, Javier Hernandez, Federico Arrieta, Yaneth Bermúdez, Alan Hinchliffe, Marcos Rosa Brussin, Morella Sanchez, Anibal Sierraalta, Fernando Ruette

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2007

Language:

english

File:

PDF, 373 KB

english, 2007

15

Calculations of adsorption, coadsorption, diffusion, and reaction barriers of H atoms in the H2 formation on a positively charged coronene

Sánchez, Morella, Ruette, Fernando

Journal:

Chemical Physics Letters

Year:

2019

Language:

english

File:

PDF, 835 KB

english, 2019

16

Properties of essential genes in the protein-protein interaction network of Escherichia coli from the perspective of network theory

Herrera-Almarza, G.C., Alvarez-Socorro, A.J., González-Díaz, L.A., Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 1.76 MB

english, 2017

17

On the geometric and magnetic properties of the monomer, dimer and trimer of NiFe2O4

Burgos, José, Seijas, Luis, Contreras, Pedro, Almeida, Rafael, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 1.51 MB

english, 2017

18

Modeling formation of molecules in the interstellar medium by radical reactions with polycyclic aromatic hydrocarbons

Yenner Bentarcurt, Fernando Ruette, Morella Sánchez

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 1.75 MB

english, 2010

19

Comparative theoretical study of Au1-3 and Cu1-3 clusters supported on SAPO-11 and their interactions with CO

Griffe, Beulah, L. Brito, Joaquín, Sierraalta, Anibal, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 1.45 MB

english, 2017

20

A model for the catalytic oxidation of CO that includes a finite reaction rate between the CO and the O adsorbed on the lattice

Buendía, G.M., Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 376 KB

english, 2017

21

Special issue: V Congress of Theoretical and Computational Physical Chemistry, 8-10 of December of 2014, Altos de Pipe, Caracas, Venezuela

Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

File:

PDF, 43 KB

2017

22

Interpretation and correlation of acentric factors in terms of molecular energies

Machín, Iván, Olivera-Fuentes, Claudio, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 699 KB

english, 2017

23

Application of computational methods to catalytic systems

Fernando Ruette, Morella Sánchez, Anibal Sierraalta, Claudio Mendoza, Rafael Añez, Luis Rodríguez, Orlando Lisboa, Judith Daza, Pastor Manrique, Zhandra Perdomo, Marcos Rosa-Brussin

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2005

Language:

english

File:

PDF, 677 KB

english, 2005

24

DFT calculations of iron-carbides using the FPLAPW method

José, Luiggi A. Ney, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 2.73 MB

english, 2017

25

Improvements of parametric quantum methods with new elementary parametric functionals

Fernando Ruette, Stefania A. M. Marcantognini, Valentin V. Karasiev, Morella Sánchez

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 134 KB

english, 2008

26

Physisorption of amino acids on TiO2: Changes in the nonlinear optical properties

Marcano, Emildo, Cisneros, José Gregorio, Alayón, Johana, Murgich, Juan, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 1.46 MB

english, 2017

27

Kinetic modeling of the anaerobic oxidative dehydrogenation of n-butane

Mirena, Juan, Moreno, María, Sogne, Gerardo, Papa, José, Pittol, José, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 1.48 MB

english, 2017

28

Foreword

Fernando Ruette, Morella Sánchez, Anibal Sierraalta, Antonio Hernández

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 45 KB

english, 2006

29

Numerical analysis of air flow past an unmanned aerial vehicle with internal propulsion system

Velazquez-Araque, Luis, Nožička, Jiří, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 4.57 MB

english, 2017

30

Model parametric Hamiltonians and bonding theoretical tools in simulation of catalytic reaction steps. Hydrotreatment of oil components

Fernando Ruette, Flor M. Poveda, Anibal Sierraalta, Morella Sánchez, Eloy N. Rodríguez-Arias

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

1997

Language:

english

File:

PDF, 1.31 MB

english, 1997

31

Diatomic energy partition as a tool for bond analysis

Morella Sánchez, Fernando Ruette

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 470 KB

english, 1992

32

On the electron density localization in HF cyclic clusters

Seijas, Luis E., Lunar, Angel, Rincón, Luis, Almeida, Rafael, Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 1.03 MB

english, 2017

33

Model for the simulation of light naphtha cracking in an inverted cyclone reactor

Lucena, M., González, Y., Galiasso, R., Ruette, Fernando, Sierralta, Anibal, Sánchez, Morella, Luiggi, Ney

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2017

Language:

english

File:

PDF, 1.61 MB

english, 2017

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