Chemistry


  Listando 19 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold Schnedlitz, Martin; Knez, Daniel; Lasserus, Maximilian; Hofer, Ferdinand; Fernandez-Perea, Ricardo; Hauser, Andreas W.; de Lara-Castells, Maria Pilar; Ernst, Wolfgang E. JOURNAL OF PHYSICAL CHEMISTRY C 1932-7447 (2020) DOI / 10.1021/acs.jpcc.0c04561 Green published, Gold other
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Article Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu-5 clusters Pilar de Lara-Castells, Maria; Hauser, Andreas W.; Ramallo-Lopez, Jose M.; Buceta, David; Giovanetti, Lisandro J.; Arturo Lopez-Quintela, M.; Requejo, Felix G. JOURNAL OF MATERIALS CHEMISTRY A 2050-7488 (2019) DOI / 10.1039/c9ta00994a Green published, Hybrid
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Article Ab Initio Confirmation of a Harpoon-Type Electron Transfer in a Helium Droplet Pilar de Lara-Castells, Maria; Hauser, Andreas W.; Mitrushchenkov, Alexander W. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1948-7185 (2017) DOI / 10.1021/acs.jpclett.7b01910 Green published, Bronze
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Article A Path Integral Molecular Dynamics Simulation of a Harpoon-Type Redox Reaction in a Helium Nanodroplet Castillo-Garcia, Alvaro; Hauser, Andreas W.; de Lara-Castells, Maria Pilar; Villarreal, Pablo MOLECULES (2021) DOI / 10.3390/molecules26195783 Green published, Gold
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Article Exploring the properties of Ag-5-TiO2 interfaces: stable surface polaron formation, UV-Vis optical response, and CO2 photoactivation Lopez-Caballero, Patricia; Ramallo-Lopez, Jose M.; Giovanetti, Lisandro J.; Buceta, David; Miret-Artes, Salvador; Lopez-Quintela, M. Arturo; Requejo, Felix G.; de Lara-Castells, Maria Pilar JOURNAL OF MATERIALS CHEMISTRY A 2050-7488 (2020) DOI / 10.1039/d0ta00062k Green published, Gold other
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Article Nonadiabatic Effects in the Molecular Oxidation of Subnanometric Cu-5 Clusters Mitrushchenkov, Alexander O.; Zanchet, Alexandre; Hauser, Andreas W.; de Lara-Castells, Maria Pilar JOURNAL OF PHYSICAL CHEMISTRY A 1089-5639 (2021) DOI / 10.1021/acs.jpca.1c07271 Hybrid
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Article Quantum Nuclear Motion of Helium and Molecular Nitrogen Clusters in Carbon Nanotubes Hauser, Andreas W.; Mitrushchenkov, Alexander O.; Pilar de Lara-Castells, Maria JOURNAL OF PHYSICAL CHEMISTRY C 1932-7447 (2017) DOI / 10.1021/acs.jpcc.6b12959 Bronze, Green published
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Article Effects of the Core Location on the Structural Stability of Ni-Au Core-Shell Nanoparticles Schnedlitz, Martin; Fernandez-Perea, Ricardo; Knez, Daniel; Lasserus, Maximilian; Schiffmann, Alexander; Hofer, Ferdinand; Hauser, Andreas W.; Pilar de Lara-Castells, Maria; Ernst, Wolfgang E. JOURNAL OF PHYSICAL CHEMISTRY C 1932-7447 (2019) DOI / 10.1021/acs.jpcc.9b05765 Bronze, Green published
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Article From Molecular Aggregation to a One-Dimensional Quantum Crystal of Deuterium Inside a Carbon Nanotube of 1 nm Diameter de Lara-Castells, Maria Pilar; Mitrushchenkov, Alexander O. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1948-7185 (2020) DOI / 10.1021/acs.jpclett.0c01432 Bronze
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Article A nuclear spin and spatial symmetry-adapted full quantum method for light particles inside carbon nanotubes: clusters of He-3, He-4, and para-H-2 Pilar de Lara-Castells, Maria; Mitrushchenkov, Alexander O. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2021) DOI / 10.1039/d0cp05332e Gold other, Green published
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Article Ag-5-induced stabilization of multiple surface polarons on perfect and reduced TiO2 rutile (110) Lopez-Caballero, P.; Miret-Artes, S.; Mitrushchenkov, A. O.; De lara-Castells, M. P. JOURNAL OF CHEMICAL PHYSICS 0021-9606 (2020) DOI / 10.1063/5.0029099 Green submitted
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Article Computational Characterization of the Intermixing of Iron Triade (Fe, Co, and Ni) Surfaces and Sub-nanometric Clusters with Atomic Gold Lopez-Caballero, Patricia; Garsed, Ricardo; Pilar de Lara-Castells, Maria ACS OMEGA 2470-1343 (2021) DOI / 10.1021/acsomega.1c02116 Green submitted, Green published, Gold
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Article Exploring the Catalytic Properties of Unsupported and TiO2-Supported Cu-5 Clusters: CO2 Decomposition to CO and CO2 Photoactivation Lopez-Caballero, Patricia; Hauser, Andreas W.; Pilar de Lara-Castells, Maria JOURNAL OF PHYSICAL CHEMISTRY C 1932-7447 (2019) DOI / 10.1021/acs.jpcc.9b06620 Green published, Hybrid
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Review Mini Review: Quantum Confinement of Atomic and Molecular Clusters in Carbon Nanotubes de Lara-Castells, Maria Pilar; Mitrushchenkov, Alexander O. FRONTIERS IN CHEMISTRY (2021) DOI / 10.3389/fchem.2021.796890
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Article Spatial quenching of a molecular charge-transfer process in a quantum fluid: the Cs-x-C-60 reaction in superfluid helium nanodroplets Hauser, Andreas W.; Pilar de Lara-Castells, Maria PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2017) DOI / 10.1039/c6cp06858h Gold other, Green published
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Article Quantum confinement of molecular deuterium clusters in carbon nanotubes: ab initio evidence for hexagonal close packing de Lara-Castells, Maria Pilar; Hauser, Andreas W.; Mitrushchenkov, Alexander O.; Fernandez-Pere, Ricardo PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2017) DOI / 10.1039/c7cp05869a Gold other, Green published
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Article Helium Droplet-Mediated Deposition and Aggregation of Nanoscale Silver Clusters on Carbon Surfaces Fernandez-Perea, Ricardo; Gomez, Luis F.; Cabrillo, Carlos; Pi, Marti; Mitrushchenkov, Alexander O.; Vilesov, Andrey F.; Pilar de Lara-Castells, Maria JOURNAL OF PHYSICAL CHEMISTRY C 1932-7447 (2017) DOI / 10.1021/acs.jpcc.7b08109 Bronze, Green published
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Editorial Material Challenges in spectroscopy: accuracy versus interpretation from isolated molecules to condensed phases Puzzarini, Cristina; Pilar de Lara-Castells, Maria; Ramos, Maria J. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2019) DOI / 10.1039/c9cp90025j
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Article Ab initio design of light absorption through silver atomic cluster decoration of TiO2 Pilar de Lara-Castells, Maria; Cabrillo, Carlos; Micha, David A.; Mitrushchenkov, Alexander O.; Vazhappilly, Tijo PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2018) DOI / 10.1039/c8cp02853b Green published

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