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1

Effect of Ni and Co impurities on the electronic structure and magnetic properties of BCC iron

Ernesto López-Chávez, J.M Martı́nez Magadán, Fray de Landa Castillo-Alvarado

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2004

Language:

english

File:

PDF, 407 KB

english, 2004

2

C–V calculations in CdS/CdTe thin films solar cells

F.L. Castillo-Alvarado, J.A. Inoue-Chávez, O. Vigil-Galán, E. Sánchez-Meza, E. López-Chávez, G. Contreras-Puente

Journal:

Thin Solid Films

Year:

2010

Language:

english

File:

PDF, 229 KB

english, 2010

3

Application of nested CPA theory to hydrogenated amorphous silicon

J. Avendaño, F.L. Castillo-Alvarado, R.A. Barrio

Journal:

Journal of Non-Crystalline Solids

Year:

1991

Language:

english

File:

PDF, 225 KB

english, 1991

4

O

Barrio, Rafael A., Castillo-Alvarado, Fray de Landa

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 314 KB

english, 1992

5

Plant protein sources in the diets of the sciaenids red drum (Sciaenops ocellatus) and shortfin corvina (Cynoscion parvipinnis): A comparative study

Minjarez-Osorio, Christian, Castillo-Alvarado, Sergio, Gatlin, D.M., González-Félix, Mayra Lizett, Perez-Velazquez, Martin, Rossi, Waldemar

Journal:

Year:

2016

Language:

english

File:

PDF, 333 KB

english, 2016

6

Model of the electronic structure of amorphous germanium tin alloys

R.A. Barrio, J. Tagüeña-Martinez, F.L. Castillo-Alvarado, I. Chambouleyron

Journal:

Solid State Communications

Year:

1990

Language:

english

File:

PDF, 534 KB

english, 1990

7

Raman scattering by phonons in heavily doped semiconductors

G. González de la Cruz, G. Contreras-Puente, F.L. Castillo-Alvarado, C. Mejía-García, A. Compaan

Journal:

Solid State Communications

Year:

1992

Language:

english

File:

PDF, 213 KB

english, 1992

8

Optical phonons in ZnxCd1−xSe thin films

J. Avendaño-López, F.L. Castillo-Alvarado, A. Escamilla-Esquivel, G. Contreras-Puente, J. Ortiz-López, O. Zelaya-Angel

Journal:

Solid State Communications

Year:

1996

Language:

english

File:

PDF, 372 KB

english, 1996

9

Raman studies of the ternary semiconducting ZnxCd1 − x Se system

FL Castillo-Alvarado, J Avendaño-López, A Escamilla-Esquivel, G Contreras-Puente, J Ortiz-Lópezt, O Zelaya-Angel

Journal:

Year:

1995

Language:

english

File:

PDF, 130 KB

english, 1995

10

Theoretical studies of ionic conductivity of crosslinked chitosan membranes

Ernesto López Chávez, R. Oviedo-Roa, Gustavo Contreras-Pérez, José Manuel Martínez-Magadán, F.L. Castillo-Alvarado

Journal:

International Journal of Hydrogen Energy

Year:

2010

Language:

english

File:

PDF, 531 KB

english, 2010

11

Raman studies in CdS thin films in the evolution from cubic to hexagonal phase

O Zelaya-Angel, F.de L Castillo-Alvarado, J Avendaño-López, A Escamilla-Esquivel, G Contreras-Puente, R Lozada-Morales, G Torres-Delgado

Journal:

Solid State Communications

Year:

1997

Language:

english

File:

PDF, 569 KB

english, 1997

12

Hydrogen storage inside a toroidal carbon nanostructure C120: Density functional theory computer simulation

A. Cruz-Torres, F. DE L. Castillo-Alvarado, J. Ortíz-López, J. S. Arellano

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 789 KB

english, 2010

13

Vibrational analysis and thermodynamic properties of C120nanotorus: a DFT study

Ernesto López-Chávez, Armando Cruz-Torres, Fray de Landa Castillo-Alvarado, Jaime Ortíz-López, Yésica A. Peña-Castañeda, José Manuel Martínez-Magadán

Journal:

Journal of Nanoparticle Research

Year:

2011

Language:

english

File:

PDF, 624 KB

english, 2011

14

Calculations of Nonlinear Refractive Index of Alkali Halides

W. Kucharczyk, F. L. Castillo-Alvarado, P. Górski R. Ledzion

Journal:

Optical and Quantum Electronics

Year:

2005

Language:

english

File:

PDF, 265 KB

english, 2005

15

Electronic structure and magnetism of Co–Fe alloys with short-range order

Ernesto López-Chávez, Fray de Landa Castillo-Alvarado

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2001

Language:

english

File:

PDF, 92 KB

english, 2001

16

Order–disorder phase transition of the CoxFe1−x system

Ernesto López-Chávez, Fray de Landa Castillo-Alvarado

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2003

Language:

english

File:

PDF, 270 KB

english, 2003

17

Thermal Characterization, Using the Photopyroelectric Technique, of Liquids Used in the Automobile Industry

Cervantes-Espinosa, L. M., Castillo-Alvarado, F. de L., Lara-HernÃ¡ndez, G., Cruz-Orea, A., Mendoza-Alvarez, J. G., ValcÃ¡rcel, J. P., GarcÃa-Quiroz, A.

Journal:

International Journal of Thermophysics

Year:

2012

Language:

english

File:

PDF, 295 KB

english, 2012

18

Thermal Effusivity of Vegetable Oils Obtained by a Photothermal Technique

Cervantes-Espinosa, L. M., de L. Castillo-Alvarado, F., Lara-Hernández, G., Cruz-Orea, A., Hernández-Aguilar, C., Domínguez-Pacheco, A.

Journal:

International Journal of Thermophysics

Year:

2014

Language:

english

File:

PDF, 232 KB

english, 2014

19

Molecular (global) and atom-in-cluster (local) polarizabilities of medium-size gold nanoclusters: isomer structure effects

RodrÃguez, Juan I., Baltazar-MÃ©ndez, Maria I., Autschbach, Jochen, Castillo-Alvarado, F.L.

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2013

Language:

english

File:

PDF, 628 KB

english, 2013

20

Structural and vibrational model for vitreous boron oxide

Barrio, Rafael A., Castillo-Alvarado, F. L., Galeener, Frank L.

Journal:

Physical Review B

Year:

1991

Language:

english

File:

PDF, 348 KB

english, 1991

21

Role of sulfonation in the stability, reactivity, and selectivity of poly(ether imide) used to develop ion exchange membranes: DFT study with application to fuel cells

López-Chávez, Ernesto, Peña-Castañeda, Yésica A., de la Portilla-Maldonado, L. César, Guzmán-Pantoja, Javier, Martínez-Magadán, José Manuel, Oviedo-Roa, Raúl, de Landa Castillo-Alvarado, Fray, Cruz-To

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 938 KB

english, 2014

22

Structural and electronic properties of the P3HT–PCBM dimer: A theoretical Study

Gutiérrez-González, Israel, Molina-Brito, Bertha, Götz, Andreas W., Castillo-Alvarado, F.L., Rodríguez, Juan I.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 1.78 MB

english, 2014

23

Optical phonons in laser-deposited CdS[sub x]Te[sub 1−x] films

Fischer, A., Feng, Z., Bykov, E., Contreras-Puente, G., Compaan, A., de Landa Castillo-Alvarado, Fray, Avendaño, Jaime, Mason, Alice

Journal:

Applied Physics Letters

Year:

1997

Language:

english

File:

PDF, 326 KB

english, 1997

24

Removal of Lead Ions in an Aqueous Medium with Activated Carbon Fibers

Ramírez-Rodríguez, Teresa, Castillo-Alvarado, Fray de Landa

Journal:

MRS Proceedings

Year:

2012

Language:

english

File:

PDF, 459 KB

english, 2012

25

Application of the intra-particle diffusion model for activated carbon fibers in an aqueous medium

Ramírez-Rodríguez, Teresa, de Landa Castillo-Alvarado, Fray

Journal:

MRS Proceedings

Year:

2012

Language:

english

File:

PDF, 214 KB

english, 2012

26

Hydrogen Storage on Beryllium-Coated Toroidal Carbon Nanostructure C120 Modeled with Density Functional Theory

Castillo-Alvarado, Fray de L., Ortíz-López, Jaime, Arellano, J.S., Cruz-Torres, Armando

Journal:

Advances in Science and Technology

Year:

2010

Language:

english

File:

PDF, 518 KB

english, 2010

27

Molecular Simulation of Ion-Transport inside Chitosan Membranes

López-Chàvez, Ernesto, Solorza-Guzmàn, Misael, de Landa Castillo-Alvarado, Fray

Journal:

Advances in Science and Technology

Year:

2006

Language:

english

File:

PDF, 833 KB

english, 2006

28

Theoretical Methodology for Studying Oxygen Reduction Reaction (ORR) on Disordered Binary Alloy Surfaces

Lopez-Chavez, Ernesto, García-Quiroz, Alberto, González-García, Gerardo, Islas-Gómez, Juana Laura, Díaz-Góngora, José A. I., Cesar de la Portilla-Maldonado, L., Castillo-Alvarado, F.L

Journal:

MRS Proceedings

Year:

2014

Language:

english

File:

PDF, 526 KB

english, 2014

29

Interlayer

Gonzalez-Cisneros, A., Castillo-Alvarado, F. L., Ortiz-Lopez, J., Contreras-Puente, G.

Journal:

International Journal of Photoenergy

Year:

2013

Language:

english

File:

PDF, 203 KB

english, 2013

30

Methodology for Predicting the Phase Envelope of a Heavy Crude Oil and Its Asphaltene Deposition Onset

López-Chávez, E., Pacheco-Sánchez, J.-H., Martínez-Magadán, J.-M., Castillo-Alvarado, F. de Landa, Soto-Figueroa, C., García-Cruz, I.

Journal:

Petroleum Science and Technology

Year:

2007

Language:

english

File:

PDF, 1.72 MB

english, 2007

31

Virial theorem in the Kohn–Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies

Rodríguez, Juan I., Ayers, Paul W., Götz, Andreas W., Castillo-Alvarado, F. L.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 87 KB

english, 2009

32

Hydrogenated amorphous silicon as a binary alloy

Taguena-Martinez, J, Barrio, R A, Castillo-Alvarado, F L

Journal:

Journal of Physics C Solid State Physics

Year:

1987

Language:

english

File:

PDF, 468 KB

english, 1987

33

Behavior of ionic species in sulfonated PEI using DFT simulations: A study to determine ionic conductivity

López-Chávez, E., Peña-Castañeda, Y., Martínez-Magadán, J., González-García, G., Castillo-Alvarado, F., Díaz-Góngora, J.

Journal:

International Journal of Hydrogen Energy

Year:

2015

Language:

english

File:

PDF, 1.05 MB

english, 2015

34

A theoretical study of the vibrational properties of ultra-heavily doped semiconductors

F. L. Castillo-alvarado, G. S. C. Puente

Year:

1988

Language:

english

File:

PDF, 329 KB

english, 1988

35

A QTAIM Topological Analysis of the P3HT-PCBM Dimer

Rodríguez, Juan I., Matta, Chérif F., Uribe, Emilbus A., Götz, Andreas W., Castillo-Alvarado, F.L., Molina-Brito, Bertha

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.13 MB

english, 2015

36

Calculation of the Raman spectra in compositional and topologically disordered semiconductors

Castillo-Alvarado, F L, Contreras-Puente, G S, Barrio, R A

Journal:

Journal of Physics Condensed Matter

Year:

1989

Language:

english

File:

PDF, 427 KB

english, 1989

37

Electronic Theory of Order-Disorder Transformations in Binary Alloys

Castillo-Alvarado, F.L., Moran-Lopez, J.L., Sanchez, J.M.

Journal:

MRS Proceedings

Year:

1983

Language:

english

File:

PDF, 205 KB

english, 1983

38

Discontinuity in heat capacity of Fe0.5Co0.5(110) alloy thin films

Ramírez-Dámaso, G., Castillo-Alvarado, F-L., Cruz-Torres, A., Rójas-Hernández, E.

Journal:

Journal of Physics and Chemistry of Solids

Year:

2016

Language:

english

File:

PDF, 928 KB

english, 2016

39

Electrochemistry, Reactivity and Selectivity of Toroidal C120 Nanostructure: A Density Functional Theory Study

López-Chávez, Ernesto, Muñoz-Vega, Rodrigo, Castillo-Alvarado, Fray de Landa, Ortíz-López, Jaime, Peña-Castañeda, Yésica A., Martínez-Magadán, José Manuel

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2012

Language:

english

File:

PDF, 4.56 MB

english, 2012

40

Size evolution relativistic DFT-QTAIM study on the gold cluster complexes Au4-S-CnH2n-S'-Au4' (n=2-5)

Rodríguez, Juan I., Uribe, Emilbus A., Baltazar-Méndez, María I., Autschbach, Jochen, Castillo-Alvarado, F.L., Gutiérrez-González, Israel

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 1.34 MB

english, 2016

41

Phase transitions in Fe0.5Co0.5 (110) thin films

Ramírez-Dámaso, G., Castillo-Alvarado, F.L., Rojas-Hernández, E.

Journal:

Physica B: Condensed Matter

Year:

2016

Language:

english

File:

PDF, 932 KB

english, 2016

42

Dissociative mechanism of oxygen reduction reaction (ORR) on Pd-Cu disordered binary alloy metal surfaces: A theoretical study

López-Chávez, Ernesto, Garcia-Quiroz, Alberto, González-García, Gerardo, Peña-Castañeda, Yesica A., Díaz-Góngora, José A.I., de Landa Castillo-Alvarado, Fray

Journal:

International Journal of Hydrogen Energy

Year:

2016

Language:

english

File:

PDF, 524 KB

english, 2016

43

Ion conduction and chemical and physical properties of sulfonated polyetherimide as membrane: Theoretical study

López-Chávez, E., Peña-Castañeda, Y.A., González-Garcia, Gerardo, de Landa Castillo-Alvarado, Fray, Díaz-Góngora, José Antonio Irán, Garcia-Quiroz, Alberto

Journal:

International Journal of Hydrogen Energy

Year:

2016

Language:

english

File:

PDF, 1.67 MB

english, 2016

44

Size evolution study of “molecular” and “atom-in-cluster” polarizabilities of medium-size gold clusters

Rodríguez, Juan I., Autschbach, Jochen, Castillo-Alvarado, F. L., Baltazar-Méndez, María I.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 813 KB

english, 2011

45

Effects of Dispersion Forces on Structure and Photoinduced Charge Separation in Organic Photovoltaics

Martinez, Juan Pablo, Trujillo-González, Daniel Eduardo, Götz, Andreas W., Castillo-Alvarado, Fray de Landa, Rodriguez Hernandez, Juan Ignacio

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 699 KB

english, 2017

46

Ti-decorated C 120 nanotorus: A new molecular structure for hydrogen storage

López-Chavéz, E., Peña-Castañeda, Y., García-Quiroz, A., Castillo-Alvarado, F., Díaz-Góngora, J., Jiménez-González, L.

Journal:

International Journal of Hydrogen Energy

Year:

2017

Language:

english

File:

PDF, 1.22 MB

english, 2017

47

Molecular QTAIM Topology Is Sensitive to Relativistic Corrections

Anderson, James S. M., Rodríguez, Juan I., Ayers, Paul W., Trujillo-González, Daniel E., Goetz, Andreas W., Autschbach, Jochen, Castillo-Alvarado, F. L., Yamashita, Koichi

Journal:

Chemistry - A European Journal

Year:

2018

Language:

english

File:

PDF, 2.31 MB

english, 2018

48

Van der Waals effects on structure and optical properties in organic photovoltaics

Götz, Andreas W., Rodríguez, Juan I., Castillo-Alvarado, Fray L., Trujillo-González, Daniel E.

Journal:

International Journal of Quantum Chemistry

Year:

2019

Language:

english

File:

PDF, 1.91 MB

english, 2019

49

AB-stacked bilayer graphene zigzag nanoribbons: sensors for interlayer single molecule detection

Gonzalez-Cisneros, Alejandro, Castillo-Alvarado, Fray de Landa, Ortiz-Lopez, Jaime

Journal:

Journal of Nanoparticle Research

Year:

2019

Language:

english

File:

PDF, 7.11 MB

english, 2019

50

Chemisorption-repulsion energies of H2 on surface (110) of Mg1−xMx alloys (M = Al, Ni, Zn; 0.0 ≤ x ≤ 0.20) as a function of temperature

Ramírez-Dámaso, G., Ramírez-Rodríguez, O., Caballero, F., Castillo-Alvarado, F. L., Roberge, J., Solorza-Guzmán, M., Rojas-Hernández, E., Ortiz-Ubilla, A., Romo-Rico, Daniel

Journal:

Journal of Molecular Modeling

Year:

2019

Language:

english

File:

PDF, 1.45 MB

english, 2019

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