Monica Calatayud: search on Z-Library

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1

Hydrogen Adsorption on Monoclinic (1̅11) and (1̅01) ZrO 2 Surfaces: A Periodic ab Initio Study

Syzgantseva, Olga, Calatayud, Monica, Minot, Christian

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.17 MB

english, 2010

2

Transforming Care in Nursing: A Concept Analysis

Vázquez-Calatayud, Mónica, Oroviogoicoechea, Cristina, Saracibar, Maribel, Pumar-Méndez, María J.

Journal:

Contemporary Nurse

Year:

2016

Language:

english

File:

PDF, 460 KB

english, 2016

3

Effect of relaxation on structure and reactivity of anatase (1 0 0) and (0 0 1) surfaces

Mònica Calatayud, Christian Minot

Journal:

Surface Science

Year:

2004

Language:

english

File:

PDF, 533 KB

english, 2004

4

Direct Evidence of Chelated Geometry of Catechol on TiO 2 by a Combined Solid State NMR and DFT Study

Finkelstein-Shapiro, Daniel, Davidowski, Stephen K, Lee, Paul, Guo, Chengchen, Holland, Gregory P., Rajh, Tijana, Gray, Kimberly A, Yarger, Jeffery L., Calatayud, Monica

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.41 MB

english, 2016

5

Periodic density functional theory study of maghemite (001) surface. Structure and electronic properties

Bentarcurt, Yenner L., Calatayud, Mónica, Klapp, Jaime, Ruette, Fernando

Journal:

Surface Science

Year:

2018

Language:

english

File:

PDF, 2.44 MB

english, 2018

6

Understanding iridium oxide nanoparticle surface sites by their interaction with catechol

Finkelstein-Shapiro, Daniel, Fournier, Maxime, Méndez-Hernández, Dalvin D., Guo, Chengchen, Calatayud, Monica, Moore, Thomas A., Moore, Ana L., Gust, Devens, Yarger, Jeffery L.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.15 MB

english, 2017

7

Understanding the Role of Oxygen Vacancies in the Water Gas Shift Reaction on Ceria-Supported Platinum Catalysts

Vecchietti, Julia, Bonivardi, Adrian, Xu, Wenqian, Stacchiola, Dario, Delgado, Juan J., Calatayud, Monica, Collins, Sebastián E.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.23 MB

english, 2014

8

A periodic model for the V2O5–TiO2 (anatase) catalyst. Stability of dimeric species

Mònica Calatayud, Basma Mguig, Christian Minot

Journal:

Surface Science

Year:

2003

Language:

english

File:

PDF, 517 KB

english, 2003

9

What do vanadium framework sites look like in redox model silicate zeolites?

Frederik Tielens, Monica Calatayud, Stanislaw Dzwigaj, Michel Che

Journal:

Microporous and Mesoporous Materials

Year:

2009

Language:

english

File:

PDF, 442 KB

english, 2009

10

Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(1 1 0) surfaces and the interaction with O2

Fabrı́cio R Sensato, Rogério Custódio, Mònica Calatayud, Armando Beltrán, Juan Andrés, Julio R Sambrano, Elson Longo

Journal:

Surface Science

Year:

2002

Language:

english

File:

PDF, 231 KB

english, 2002

11

The synergistic power of theory and experiment in the field of catalysis

Frederik Tielens, Monica Calatayud

Journal:

Catalysis Today

Year:

2011

Language:

english

File:

PDF, 75 KB

english, 2011

12

Dynamics of Hydration in Vanadia–Titania Catalysts at Low Loading: A Theoretical and Experimental Study

Lewandowska, Anna E., Calatayud, Mònica, Tielens, Frederik, Bañares, Miguel A.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.27 MB

english, 2011

13

Can Supported Reduced Vanadium Oxides Form H 2 from CH 3 OH? A Computational Gas-Phase Mechanistic Study

Gonzalez-Navarrete, Patricio, Andrés, Juan, Calatayud, Monica

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.43 MB

english, 2017

14

Estudio de prevalencia de úlceras por presión en la Clínica Universidad de Navarra

Labiano-Turrillas, Juana, Larrea-Leoz, Blanca, Vázquez-Calatayud, Mónica, Juandeaburre-Pedroarena, Beatriz, Irruarizaga-Sagredo, Angélica, Morillo-Cabezas, Eva

Journal:

Year:

2013

File:

PDF, 228 KB

2013

15

Unravelling the enhanced reactivity of bulk CeO2 doped with gallium: A periodic DFT study

Paola Quaino, Olga Syzgantseva, Luca Siffert, Frederik Tielens, Christian Minot, Monica Calatayud

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 893 KB

english, 2012

16

Theoretical Investigation of NO Oxidation over TiO 2 -Anatase

Mguig, Basma, Calatayud, Monica, Minot, Christian

Journal:

Surface Review and Letters

Year:

2003

Language:

english

File:

PDF, 2.06 MB

english, 2003

17

Evaluación del impacto de una intervención de enfermería en la prevención y tratamiento de las úlceras por presión

Larrea-Leoz, Blanca, Vázquez-Calatayud, Mónica, Labiano-Turrillas, Juana

Journal:

Year:

2015

File:

PDF, 99 KB

2015

18

Theoretical Investigation of the Hydrogenation of (TiO2)N Clusters (N = 1–10)

Syzgantseva, Olga A., Gonzalez-Navarrete, Patricio, Calatayud, Monica, Bromley, Stefan, Minot, Christian

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.74 MB

english, 2011

19

Soft solution fluorine-free synthesis of anatase nanoparticles with tailored morphology

Calatayud, David G., Jardiel, Teresa, Rodríguez, Mónica, Peiteado, Marco, Fernández-Hevia, Daniel, Caballero, Amador C.

Journal:

Ceramics International

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

20

Combining theoretical description with experimental in situ studies on the effect of alkali additives on the structure and reactivity of vanadium oxide supported catalysts

Anna E. Lewandowska, Mònica Calatayud, Enrique Lozano-Diz, Christian Minot, Miguel A. Bañares

Journal:

Catalysis Today

Year:

2008

Language:

english

File:

PDF, 496 KB

english, 2008

21

Insights on hydride formation over cerium-gallium mixed oxides: A mechanistic study for efficient H2 dissociation

Vecchietti, Julia, Baltanás, Miguel A., Gervais, Christel, Collins, Sebastián E., Blanco, Ginesa, Matz, Olivier, Calatayud, Monica, Bonivardi, Adrian

Journal:

Journal of Catalysis

Year:

2017

Language:

english

File:

PDF, 3.05 MB

english, 2017

22

Properties of hydrated TiO 2 and SiO 2 nanoclusters: dependence on size, temperature and water vapour pressure

Cuko, Andi, Macià Escatllar, Antoni, Calatayud, Monica, Bromley, Stefan T.

Journal:

Year:

2018

Language:

english

File:

PDF, 7.19 MB

english, 2018

23

Hydrogen Adsorption and Diffusion on the Anatase TiO2(101) Surface: A First-Principles Investigation

Islam, Mazharul M., Calatayud, Monica, Pacchioni, Gianfranco

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 4.07 MB

english, 2011

24

Probing Raman Enhancement in a Dopamine–Ti 2 O 4 Hybrid Using Stretched Molecular Geometries

Urdaneta, Inés, Pilmé, Julien, Keller, Arne, Atabek, Osman, Tarakeshwar, Pilarisetty, Mujica, Vladimiro, Calatayud, Mónica

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.01 MB

english, 2014

25

[AIP THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY—2008 - Shanghai (China) (23–27 September 2008)] AIP Conference Proceedings - Adsorption of Electropositive Atoms with an Odd Number of Electrons (H, K, Au) on a Perfect TiO2(110) Surface

Markovits, Alexis, Calatayud, Monica, Fernandez, Sébastien, Minot, Christian, Wei, Dong-Qing, Wang, Xi-Jun

Year:

2009

Language:

english

File:

PDF, 868 KB

english, 2009

26

Nonlinear Fano interferences in open quantum systems: An exactly solvable model

Finkelstein-Shapiro, Daniel, Calatayud, Monica, Atabek, Osman, Mujica, Vladimiro, Keller, Arne

Journal:

Physical Review A

Year:

2016

Language:

english

File:

PDF, 325 KB

english, 2016

27

Application of dual descriptor to understand the activity ofCu/ZrO2catalysts in the water gas shift reaction

Cerón, María Luisa, Calatayud, Mònica

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 2.58 MB

english, 2017

28

Tiempos de equidad de género: descripción de las desigualdades entre comunidades autónomas, España 2006-2014

Fernández-Sáez, José, Ruiz-Cantero, María Teresa, Guijarro-Garvi, Marta, Rodenas-Calatayud, Carmen, Martí-Sempere, Mónica, Jiménez-Alegre, María Dolores

Journal:

Gaceta Sanitaria

Year:

2016

File:

PDF, 1.08 MB

2016

29

Preface to special issue “Recent Advances in the Theoretical Understanding of Catalysis”

Alexis Markovits, Mònica Calatayud, Christian Minot

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 114 KB

english, 2009

30

A Systematic Density Functional Theory Study of V x O y + and V x O Y (X = 2−4, Y = 2−10) Systems

Calatayud, Mònica, Andrés, Juan, Beltrán, Armando

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 658 KB

english, 2001

31

Stability of Binary SAMs Formed by ω-Acid and Alcohol Functionalized Thiol Mixtures

Tielens, Frederik, Humblot, Vincent, Pradier, Claire-Marie, Calatayud, Monica, Illas, Francesc

Journal:

Year:

2009

Language:

english

File:

PDF, 2.19 MB

english, 2009

32

Global optimisation of hydroxylated silica clusters: A cascade Monte Carlo Basin Hopping approach

Cuko, Andi, Macià, Antoni, Calatayud, Monica, Bromley, Stefan T.

Journal:

Computational and Theoretical Chemistry

Year:

2017

Language:

english

File:

PDF, 1.43 MB

english, 2017

33

Cutaneous pseudolymphoma after patch test to gold sodium thiosulfate in two patients

García‐Arpa, Mónica, Gómez‐Torrijos, Elisa, Relea‐Calatayud, Fernanda, Santiago Sánchez‐Mateos, Juan Luis, Galindo‐Bonilla, Pedro A., Rodríguez‐Carmona, Marcos

Journal:

Contact Dermatitis

Year:

2020

File:

PDF, 2.09 MB

2020

34

Focal fibrocartilaginous dysplasia of the distal radius

Petra Braun, Monica Ballesta Moratalla, Faaiza Kazim, Amparo Vallcanera Calatayud, Jacinto Gomez Fernández-Montes

Journal:

European Journal of Radiology Extra

Year:

2006

Language:

english

File:

PDF, 378 KB

english, 2006

35

Ionic interactions: Comparative topological approach

Julia Contreras-García, Mónica Calatayud, Jean-Philip Piquemal, J.M. Recio

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 932 KB

english, 2012

36

Pitiriasis liquenoide crónica en probable relación con letrozol

García-Arpa, Mónica, Ralea-Calatayud, Fernanda, Rodríguez-Vázquez, María, Cruz-Conde de Boom, Rafael

Journal:

Year:

2015

File:

PDF, 770 KB

2015

37

Estimating False Migrations in Spain

Carmen Ródenas Calatayud and Mónica Martí Sempere

Journal:

Population (English Edition)

Year:

2009

Language:

english

File:

PDF, 1.94 MB

english, 2009

38

Structure and Stability of Formates and Carbonates on Monoclinic Zirconia: A Combined Study by Density Functional Theory and Infrared Spectroscopy

Korhonen, Satu T., Calatayud, Monica, Krause, A. Outi I.

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 1.06 MB

english, 2008

39

Methanol Oxidation to Formaldehyde on VSiBEA Zeolite: A Combined DFT/vdW/Transition Path Sampling and Experimental Study

Tranca, Diana C., Keil, Frerich J., Tranca, Ionut, Calatayud, Monica, Dzwigaj, Stanislaw, Trejda, Maciej, Tielens, Frederik

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.57 MB

english, 2015

40

Predicting Size-dependent Emergence of Crystallinity in Nanomaterials: Titania Nanoclusters versus Nanocrystals

Lamiel Garcia, Oriol, Cuko, Andi, Calatayud, Monica, Illas, Francesc, Bromley, Stefan T.

Journal:

Year:

2016

Language:

english

File:

PDF, 1.58 MB

english, 2016

41

CRISPR/Cas9-mediated generation of a tyrosine hydroxylase reporter iPSC line for live imaging and isolation of dopaminergic neurons

Calatayud, Carles, Carola, Giulia, Fernández-Carasa, Irene, Valtorta, Marco, Jiménez-Delgado, Senda, Díaz, Mònica, Soriano-Fradera, Jordi, Cappelletti, Graziella, García-Sancho, Javier, Raya, Ángel, C

Journal:

Scientific Reports

Year:

2019

Language:

english

File:

PDF, 3.06 MB

english, 2019

42

Reactivity of the Oxygen Sites in the V 2 O 5 /TiO 2 Anatase Catalyst

Calatayud, Mònica, Minot, Christian

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 254 KB

english, 2004

43

Platinum and platinum based nanoalloys synthesized by wet chemistry

Salzemann, Caroline, Kameche, Farid, Ngo, Anh-Tu, Andreazza, Pascal, Calatayud, Monica, Petit, Christophe

Journal:

Faraday Discussions

Year:

2015

Language:

english

File:

PDF, 15.15 MB

english, 2015

44

Characterization of Supported Vanadium Oxide Species on Silica: A Periodic DFT Investigation

Islam, Mazharul M., Costa, Dominique, Calatayud, Monica, Tielens, Frederik

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 1.56 MB

english, 2009

45

Comparison of the reduction of metal oxide surfaces: TiO2-anatase, TiO2-rutile and SnO2-rutile

Asmae Bouzoubaa, Alexis Markovits, Mònica Calatayud, Christian Minot

Journal:

Surface Science

Year:

2005

Language:

english

File:

PDF, 356 KB

english, 2005

46

Butanethiol adsorption and dissociation on Ag (111): A periodic DFT study

Li, Aixiao, Piquemal, Jean-Philip, Richardi, Johannes, Calatayud, Monica

Journal:

Surface Science

Year:

2015

Language:

english

File:

PDF, 742 KB

english, 2015

47

Computing the Fukui Function in Solid-State Chemistry: Application to Alkaline Earth Oxides bulk and Surfaces

Ceron, Maria Luisa, GÃ³mez, Tatiana, Calatayud, Monica, Cardenas, Carlos

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 590 KB

2020

48

Understanding How in Situ Generated Hydrogen Controls the Morphology of Platinum Nanoparticles

Aguilera-Porta, Neus, Calatayud, Monica, Salzemann, Caroline, Petit, Christophe

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.07 MB

english, 2014

49

Photoactivity of Molecule-TiO 2 Clusters with Time-Dependent Density-Functional Theory

Luppi, Eleonora, Urdaneta, Ines, Calatayud, Monica

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 1.92 MB

english, 2016

50

Characterization of Amorphous Silica Based Catalysts Using DFT Computational Methods

Tielens, Frederik, Gierada, Maciej, Handzlik, Jarosław, Calatayud, Monica

Journal:

Catalysis Today

Year:

2019

File:

PDF, 1.67 MB

2019

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