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María Pilar de Lara‐Castells

MP

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Publications

64

Citations

1.6K

H-Index

24

Active since

1996

Affiliations

Instituto de Física Fundamental(Current)

Laboratoire Modélisation et Simulation Multi-Echelle

Centre National de la Recherche Scientifique

Graz University of Technology

University of Florida

María Pilar de Lara‐Castells is an author at Instituto de Física Fundamental specializing in chemistry, engineering, and natural sciences.

ORCID

Top concepts

Publications per year

1996–2024

64

Publications

64

An inversion technique for the calculation of embedding potentials

Octavio Roncero, María Pilar de Lara‐Castells, Pablo Villarreal et al. · The Journal of Chemical Physics · 2008 · 101 citations · Full text

, , +16

Theoretical study of the interaction of molecular oxygen with a reduced TiO2 surface

María Pilar de Lara‐Castells, Jeffrey L. Krause · Chemical Physics Letters · 2002 · 77 citations

, , +9

Complete basis set extrapolation limit for electronic structure calculations: Energetic and nonenergetic properties of HeBr and HeBr2 van der Waals dimers

María Pilar de Lara‐Castells, Roman V. Krems, Alexei A. Buchachenko et al. · The Journal of Chemical Physics · 2001 · 62 citations · Full text

, , +17

Exploring the Catalytic Properties of Unsupported and TiO<sub>2</sub>-Supported Cu<sub>5</sub> Clusters: CO<sub>2</sub> Decomposition to CO and CO<sub>2</sub> Photoactivation

Patricia López‐Caballero, Andreas Hauser, María Pilar de Lara‐Castells · The Journal of Physical Chemistry C · 2019 · 56 citations · Full text

Adsorption of Noble-Gas Atoms on the TiO<sub>2</sub>(110) Surface: An <i>Ab Initio</i>-Assisted Study with van der Waals-Corrected DFT

Ali Abbaspour Tamijani, A. Salam, María Pilar de Lara‐Castells · The Journal of Physical Chemistry C · 2016 · 54 citations

, , +20

1–5 of 64