Monica Calatayud (M Calatayud, Mónica Calatayud, Mònica Calatayud)

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 12

Top Venues

Nanomaterials (Basel, Switzerland)

The journal of physical chemistry. B

The journal of physical chemistry. A

Journal of physics. Condensed matter : an Institute of Physics journal

Sorbonne University

Universitat Jaume I (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Sorbonne University Jan 01 2005

France

Associate Professor :: Laboratoire de Chimie Theorique

Education History

Universitat Jaume I - Jun 27 2001

Spain

PHD :: Dpt. Ciencies Experimentals

Publications

Beata Taudul, Frederik Tielens, Monica Calatayud
Raman Characterization of Plastics: A DFT Study of Polystyrene. The journal of physical chemistry. B (2024)
Yarkın Aybars Çetin, Benjamí Martorell, Francesc Serratosa, Monica Calatayud
Adsorption of Guanine on Oxygen-Deficient TiO 2 Surface: A Combined MD-DFTB/DFT Strategy. ACS omega 9 (37) (2024)
Beata Taudul, Frederik Tielens, Monica Calatayud
Raman Characterization of Plastics: A DFT Study of Polystyrene. The journal of physical chemistry. B 128 (17) (2024)
Beata Taudul, Frederik Tielens, Monica Calatayud
On the Origin of Raman Activity in Anatase TiO 2 (Nano)Materials: An Ab Initio Investigation of Surface and Size Effects. Nanomaterials (Basel, Switzerland) 13 (12) (2023)
Beata Taudul, Frederik Tielens, Monica Calatayud
On the Origin of Raman Activity in Anatase TiO 2 (Nano)Materials: An Ab Initio Investigation of Surface and Size Effects. Nanomaterials (Basel, Switzerland) 13 (12) (2023)
Beata Taudul, Frederik Tielens, Monica Calatayud
On the Origin of Raman Activity in Anatase TiO 2 (Nano)Materials: An Ab Initio Investigation of Surface and Size Effects. Nanomaterials (Basel, Switzerland) 13 (12) (2023)
Yarkın Aybars Çetin, Benjamí Martorell, Francesc Serratosa, Neus Aguilera-Porta, Monica Calatayud
Analyzing the TiO 2 surface reactivity based on oxygen vacancies computed by DFT and DFTB methods. Journal of physics. Condensed matter : an Institute of Physics journal 34 (31) (2022)
Giulia Mancardi, Matteo Alberghini, Neus Aguilera-Porta, Monica Calatayud, Pietro Asinari, Eliodoro Chiavazzo
Multi-Scale Modelling of Aggregation of TiO 2 Nanoparticle Suspensions in Water. Nanomaterials (Basel, Switzerland) 12 (2) (2022)
M L Cerón, T Gomez, Monica Calatayud, Carlos Cardenas
Computing the Fukui Function in Solid-State Chemistry: Application to Alkaline Earth Oxides Bulk and Surfaces. The journal of physical chemistry. A 124 (14) (2020)
Baohuan Wei, Frederik Tielens, Monica Calatayud
Understanding the Role of Rutile TiO2 Surface Orientation on Molecular Hydrogen Activation. Nanomaterials (Basel, Switzerland) 9 (9) (2019)
Julen Munarriz, Monica Calatayud, Julia Contreras-García
Valence-Shell Electron-Pair Repulsion Theory Revisited: An Explanation for Core Polarization. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (46) (2019)
Patricio González-Navarrete, Juan Andrés, Monica Calatayud
Can Supported Reduced Vanadium Oxides form H2 from CH3OH? A Computational Gas-Phase Mechanistic Study. The journal of physical chemistry. A 122 (4) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Monica Calatayud (M Calatayud, Mónica Calatayud, Mònica Calatayud)