POSADA-AMARILLAS, ALVARO: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Microstructural analysis of simulated liquid and amorphous Ni

Posada-Amarillas, Alvaro, Garzón, Ignacio L.

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 83 KB

english, 1996

2

CeO 2 (111) electronic reducibility tuned by ultra-small supported bimetallic Pt-Cu clusters

Paz-Borbón, Lauro Oliver, Buendía, Fernando, Garzon, Ignacio L, Posada-Amarillas, Alvaro, Illas, Francesc, Li, Jun

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.90 MB

english, 2019

3

Global Minimum Pt 13 M 20 (M = Ag, Au, Cu, Pd) Dodecahedral Core–Shell Clusters

Borbón-González, Dora J., Fortunelli, Alessandro, Barcaro, Giovanni, Sementa, Luca, Johnston, Roy L., Posada-Amarillas, Alvaro

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.17 MB

english, 2013

4

-CdCr 2 O 4 phase

Núñez-González, Roberto, Antúnez-García, Joel, Durán, A., Galván, Donald H., Posada-Amarillas, Alvaro

Journal:

Computational Materials Science

Year:

2018

Language:

english

File:

PDF, 1.71 MB

english, 2018

5

Structural Insights into 19-Atom Pd/Pt Nanoparticles: A Computational Perspective

Borbón-González, Dora J., Pacheco-Contreras, Rafael, Posada-Amarillas, Alvaro, Schön, J. Christian, Johnston, Roy L., Montejano-Carrizales, Juan Martín

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 289 KB

english, 2009

6

Theoretical DFT study of homonuclear and binary transition-metal dimers

Posada-Borbón, Alvaro, Posada-Amarillas, Alvaro

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 384 KB

english, 2015

7

STRUCTURAL AND DYNAMICAL PROPERTIES IN LIQUID Ni AND Ag BY COMPUTER SIMULATION

URRUTIA-BAÑUELOS, EFRAÍN, POSADA-AMARILLAS, ALVARO

Journal:

International Journal of Modern Physics B

Year:

2003

Language:

english

File:

PDF, 279 KB

english, 2003

8

clusters

Garzón, Ignacio L., Posada-Amarillas, Alvaro

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 160 KB

english, 1996

9

Computational studies of stable hexanuclear Cu l Ag m Au n ( l + m + n = 6; l , m , n > 0) clusters

Posada-Amarillas, Alvaro, Pacheco-Contreras, Rafael, Morales-Meza, Sharity, Sanchez, Mario, Schön, J. Christian

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 659 KB

english, 2016

10

A Theoretical Kohn-Sham Density Functional Theory Based Study of Pt@Pd12

Dessens-Félix, Maribel, Pacheco-Contreras, Rafael, Cruz-Vázquez, Catalina, Posada-Amarillas, Alvaro, Köster, Andreas M.

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2010

Language:

english

File:

PDF, 287 KB

english, 2010

11

Theoretical study of the thermally induced structural fluctuations in sub-nanometre size gold clusters

Cabrera-Trujillo, José Manuel, Montejano-Carrizales, Juan Martín, Aguilera-Granja, Faustino, Posada-Amarillas, Álvaro

Journal:

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

Year:

2015

Language:

english

File:

PDF, 655 KB

english, 2015

12

CO2 adsorption on gas-phase Cu4-xPtx (x = 0 - 4) clusters: a DFT study

Posada-Amarillas, Alvaro, Gálvez-González, Luis Eduardo, Juárez-Sánchez, José Octavio, Pacheco-Contreras, Rafael, Garzon, Ignacio L, Paz-Borbón, Lauro Oliver

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.39 MB

english, 2018

13

Theoretical study of both low- and high-temperature $$\gamma $$-$${\text {Bi}}_{2}{\text {MoO}}_{6}$$ crystalline phases

NÃºÃ±ez-GonzÃ¡lez, R., AntÃºnez-GarcÃa, Joel, Posada-Amarillas, Alvaro, GalvÃ¡n, Donald H.

Journal:

Theoretica Chimica Acta

Year:

2020

File:

PDF, 2.07 MB

2020

14

Combined DFT and NBO approach to analyze reactivity and stability of (CuS) n (n = 1–12) clusters

Juárez-Sánchez, J. Octavio, Galván, Donald H., Posada-Amarillas, Alvaro

Journal:

Computational and Theoretical Chemistry

Year:

2017

Language:

english

File:

PDF, 1.33 MB

english, 2017

15

Structure and stability of (X ⩽ 9; Z = −1, 0, 1) clusters. Theoretical insights

Abraham F. Jalbout, Alvaro Posada-Amarillas, Artemis Ordóñez-Campos, Guadalupe Moreno-Armenta, Donald H. Galván, Vitalii Petranovskii

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 674 KB

english, 2008

16

Determination of the energy landscape of Pd12Pt1 using a combined genetic algorithm and threshold energy method

Pacheco-Contreras, Rafael, Borbón-González, Dora J., Dessens-Félix, Maribel, Paz-Borbón, Lauro Oliver, Johnston, Roy L., Schön, J. Christian, Jansen, Martin, Posada-Amarillas, Alvaro

Journal:

Year:

2013

Language:

english

File:

PDF, 641 KB

english, 2013

17

Temperature effect on the local order of liquid Ni, Ag, and Pb: A molecular dynamics study

Urrutia-Bañuelos, Efraín, Posada-Amarillas, Alvaro, Garzón, Ignacio L.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 60 KB

english, 2002

18

Energetic and Structural Analysis of 102-Atom Pd–Pt Nanoparticles: A Composition-Dependent Study

Pacheco-Contreras, Rafael, Arteaga-Guerrero, Alvaro, Borbón-González, Dora J., Posada-Amarillas, Alvaro, Schön, J. Christian, Johnston, Roy L.

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2010

Language:

english

File:

PDF, 2.54 MB

english, 2010

19

Empirical-potential global minima and DFT local minima of trimetallic Ag l Au m Pt n ( l + m + n = 13, 19, 33, 38) clusters

Pacheco-Contreras, Rafael, Juárez-Sánchez, J. Octavio, Dessens-Félix, Maribel, Aguilera-Granja, Faustino, Fortunelli, Alessandro, Posada-Amarillas, Alvaro

Journal:

Computational Materials Science

Year:

2018

Language:

english

File:

PDF, 2.65 MB

english, 2018

20

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations

Castillo-Quevedo, CÃ©sar, Cabellos, Jose Luis, Aceves, Raul, NÃºÃ±ez-GonzÃ¡lez, Roberto, Posada-Amarillas, Alvaro

Journal:

Year:

2020

File:

PDF, 3.78 MB

2020

21

Relationship between excess entropy and microstructure of undercooled liquid metals

Alvaro Posada-Amarillas, Efrain Urrutia-Bañuelos, Roberto Núñez-González, Dora J. Borbón-González, Ignacio L. Garzón

Journal:

Journal of Non-Crystalline Solids

Year:

2007

Language:

english

File:

PDF, 158 KB

english, 2007

22

DFT calculation of the electronic properties and EEL spectrum of NiSi2

Roberto Núñez-González, Armando Reyes-Serrato, Donald H. Galván, Alvaro Posada-Amarillas

Journal:

Computational Materials Science

Year:

2010

Language:

english

File:

PDF, 603 KB

english, 2010

23

Tetrahelix Conformations and Transformation Pathways in Pt 1 Pd 12 Clusters

Pacheco-Contreras, Rafael, Dessens-Félix, Maribel, Borbón-González, Dora J., Paz-Borbón, L. Oliver, Johnston, Roy L., Schön, J. Christian, Posada-Amarillas, Alvaro

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.62 MB

english, 2012

24

Structural Motifs of Bimetallic Pt 101– x Au x Nanoclusters

Dessens-Félix, Maribel, Pacheco-Contreras, Rafael, Barcaro, Giovanni, Sementa, Luca, Fortunelli, Alessandro, Posada-Amarillas, Alvaro

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 418 KB

english, 2013

25

A DFT study of copper-oxide clusters embedded in dry and water-immersed siliceous mordenite

Antúnez-García, Joel, Galván, D.H., Petranovskii, Vitalii, Posada-Amarillas, Alvaro

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 2.93 MB

english, 2015

26

Theoretical Study of Amino Acids Encapsulation in Zigzag Single-Walled Carbon Nanotubes

Chang, Chia M., Tseng, Hsiao L., de Leon, Aned, Posada-Amarillas, Alvaro, Jalbout, Abraham F.

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2013

Language:

english

File:

PDF, 5.90 MB

english, 2013

27

Theoretical investigation of the structures of unsupported 38-atom CuPt clusters

Guerrero-Jordan, Josafat, Cabellos, José Luis, Johnston, Roy L., Posada-Amarillas, Alvaro

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2018

Language:

english

File:

PDF, 1.71 MB

english, 2018

28

Structures and electronic properties of neutral (CuS)N clusters (N=1–6): A DFT approach

Juárez-Sánchez, Octavio J., Perez-Peralta, Nancy, Herrera-Urbina, Ronaldo, Sanchez, Mario, Posada-Amarillas, Alvaro

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 1009 KB

english, 2013

29

2D – 3D structural transition in sub-nanometer Pt N clusters supported on CeO 2 (111)

Paz-Borbón, Lauro Oliver, López-Martínez, Andrés, Garzon, Ignacio L, Posada-Amarillas, Alvaro, Gronbeck, Henrik

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.24 MB

english, 2017

30

Computational study of Au_4 cluster on a carbon nanotube with and without defects using QM/MM methodology

Diana Barraza-Jimenez, D. H. Galvan, Alvaro Posada-Amarillas, Manuel Alberto Flores-Hidalgo, Daniel Glossman-Mitnik, Miguel Jose-Yacaman

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 323 KB

english, 2012

31

Structures and energetics of 98 atom Pd–Pt nanoalloys: potential stability of the Leary tetrahedron for bimetallic nanoparticles

Paz-Borbón, Lauro Oliver, Mortimer-Jones, Thomas V., Johnston, Roy L., Posada-Amarillas, Alvaro, Barcaro, Giovanni, Fortunelli, Alessandro

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 886 KB

english, 2007

32

clusters

Posada-Amarillas, Alvaro, Garzón, Ignacio L.

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 187 KB

english, 1996

33

A theoretical study on the geometry and spectroscopic properties of ground-state and local minima isomers of (CuS) n=2-6 clusters

Luque-Ceballos, Jonathan C., Posada-Borbón, Alvaro, Herrera-Urbina, Ronaldo, Aceves, R., Juárez-Sánchez, J. Octavio, Posada-Amarillas, Alvaro

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2017

Language:

english

File:

PDF, 1.07 MB

english, 2017

34

TDDFT Study of the Optical Spectra of Free and Supported Binary Coinage Metal Hexamers: Effect of Doping and Support

Luque-Ceballos, Jonathan C., Sementa, Luca, Aprà, Edoardo, Fortunelli, Alessandro, Posada-Amarillas, Alvaro

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 5.80 MB

english, 2018

35

Theoretical insights on the storage of carbon dioxide using single-walled carbon nanotubes

Chia M. Chang, Aned de Leon, Posada-Amarillas Alvaro, Abraham F. Jalbout

Journal:

Computational Materials Science

Year:

2012

Language:

english

File:

PDF, 897 KB

english, 2012

36

Electronic Properties of EuRu4P12Skutterudite

Antúnez-García, Joel, Núñez-González, R., Galván, D. H., Posada-Amarillas, Alvaro

Journal:

Journal of Superconductivity and Novel Magnetism

Year:

2015

Language:

english

File:

PDF, 1.71 MB

english, 2015

37

DFT study of composites formed by metallic clusters M 2 (M = Ni, Cu, Fe and Au) embedded in Faujasite

Antúnez-García, Joel, Posada-Amarillas, Alvaro, Galván, Donald Homero, Smolentseva, Elena, Petranovskii, Vitalii, Fuentes-Moyado, Sergio

Journal:

Year:

2016

Language:

english

File:

PDF, 4.03 MB

english, 2016

38

Exploring the energy landscape of PtxAu115−x nanoalloys

Dessens-Félix, Maribel, Pacheco-Contreras, Rafael, Cabrera-Trujillo, J.M., Montejano-Carrizales, J.M., Paz-Borbón, Lauro Oliver, Fortunelli, Alessandro, Posada-Amarillas, Alvaro

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 2.37 MB

english, 2015

39

Effect of substitutional Cu atoms on the electronic and optical properties of KCl: A DFT approach

Núñez-González, Roberto, Aceves, R., Cabellos, José Luis, Posada-Amarillas, Alvaro

Journal:

Materials Today Communications

Year:

2020

File:

PDF, 3.15 MB

2020

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@z-lib.do

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски