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
Mentions
14
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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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7
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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
Mentions
10
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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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7
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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
Mentions
6
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0
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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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5
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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
Mentions
3
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0
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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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3
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0
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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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3
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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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3
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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
Mentions
4
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0
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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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3
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0
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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
Mentions
5
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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
Mentions
2
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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
Mentions
4
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0
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0
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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
Mentions
1
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0
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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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1
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0
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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
Mentions
1
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0
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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
