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Composition dependent reactivity of titanium oxide clusters

Physical chemistry chemical physics : PCCP, 2016-04, Vol.18 (15), p.1594-1599

2016

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How the addition of atomic hydrogen to a multiple bond can be catalyzed by water molecules

Journal of computational chemistry, 2024-10, Vol.45 (27), p.2325-2332

2024

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Exploring CO dissociation on Fe nanoparticles by density functional theory-based methods: Fe13 as a case study

Theoretical chemistry accounts, 2014-02, Vol.133 (2), Article 1430

2014

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Peculiar adsorption induced by strong hydrogen bonds on perfect anatase (001) surface

Applied surface science, 2022-08, Vol.594, p.153397, Article 153397

2022

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Formamide synthesis in the interstellar medium catalyzed by damaged water ice

Astronomy and astrophysics (Berlin), 2024-02, Vol.682, p.A13

2024

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The significant role of water in reactions occurring on the surface of interstellar ice grains: Hydrogenation of pure ketene H2C=C=O ice versus hydrogenation of mixed H2C=C=O/H2O ice at 10 K

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.4200-4207

2024

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Revisiting the OH + H2 → H2O + H reaction at the molecular level: the plausible catalytic role of ice in its own reconstruction

Astronomy and astrophysics (Berlin), 2021-02, Vol.646

2021

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The significant role of water in reactions occurring on the surface of interstellar ice grains: Hydrogenation of pure ketene HC&z.dbd;C&z.dbd;O ice hydrogenation of mixed HC&z.dbd;C&z.dbd;O/HO ice at 10 K

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.42-427

2024

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The significant role of water in reactions occurring on the surface of interstellar ice grains: Hydrogenation of pure ketene H 2 CCO ice versus hydrogenation of mixed H 2 CCO/H 2 O ice at 10 K

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.4200-4207

2024

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Formation of CO, CH4, H2CO and CH3CHO through the H2CCO + H surface reaction under interstellar conditions

Physical chemistry chemical physics : PCCP, 2022-10, Vol.24 (38), p.23245-23253

2022

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Formation of CO, CH, HCO and CHCHO through the HCCO + H surface reaction under interstellar conditions

Physical chemistry chemical physics : PCCP, 2022-10, Vol.24 (38), p.23245-23253

2022

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Formation of CO, CH 4 , H 2 CO and CH 3 CHO through the H 2 CCO + H surface reaction under interstellar conditions

Physical chemistry chemical physics : PCCP, 2022-10, Vol.24 (38), p.23245-23253

2022

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Sodium, Potassium, and Calcium in Europa: An Atomic Journey through Water Ice

Astrophysical journal. Letters, 2018-10, Vol.865 (2), p.L16

2018

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CO dissociation on magnetic Fe n clusters

Physical chemistry chemical physics : PCCP, 2014-09, Vol.16 (38), p.20703-20713

2014

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CO dissociation on magnetic Fen clusters

2014-09

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Metal atom adsorption on a defective TiO2–x support

Chemical physics letters, 2014-02, Vol.594, p.23-29

2014

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Reactivity of transition metal atoms supported or not on TiO2(110) toward CO and H adsorption

Theoretical chemistry accounts, 2015-04, Vol.134 (4), Article 50

2015

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On the move of strongly chemisorbed species on metals: The example of O diffusion on Pd(111) surface

Chemical physics letters, 2008-06, Vol.458 (1-3), p.92-95

2008

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Support effect on H adsorption on a metal atom

Chemical physics letters, 2013-04, Vol.565, p.45-51

2013

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Modeling Localized Photoinduced Electrons in Rutile-TiO2 Using Periodic DFT+U Methodology

Langmuir, 2010-11, Vol.26 (21), p.16232-16238

2010

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

Surface science, 2005-05, Vol.583 (1), p.107-117

2005

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Improved convergence of rutile-TiO2(110) slab properties with thickness by one-side saturation

Chemical physics letters, 2012-04, Vol.531, p.90-93

2012

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CO dissociation on magnetic Fe sub(n) clusters

Physical chemistry chemical physics : PCCP, 2014-09, Vol.16 (38), p.20703-20713

2014

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Core restructuring for magnetic Fe55 icosahedral nanoparticles

Chemical physics letters, 2012-07, Vol.541, p.101-104

2012

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Global versus local adsorption selectivity

International journal of astrobiology, 2015-10, Vol.14 (4), p.563-570

2015

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Composition dependent reactivity of titanium oxide clusters

How the addition of atomic hydrogen to a multiple bond can be catalyzed by water molecules

Exploring CO dissociation on Fe nanoparticles by density functional theory-based methods: Fe13 as a case study

Peculiar adsorption induced by strong hydrogen bonds on perfect anatase (001) surface

Formamide synthesis in the interstellar medium catalyzed by damaged water ice

The significant role of water in reactions occurring on the surface of interstellar ice grains: Hydrogenation of pure ketene H2C=C=O ice versus hydrogenation of mixed H2C=C=O/H2O ice at 10 K

Revisiting the OH + H2 → H2O + H reaction at the molecular level: the plausible catalytic role of ice in its own reconstruction

The significant role of water in reactions occurring on the surface of interstellar ice grains: Hydrogenation of pure ketene HC&z.dbd;C&z.dbd;O ice hydrogenation of mixed HC&z.dbd;C&z.dbd;O/HO ice at 10 K

The significant role of water in reactions occurring on the surface of interstellar ice grains: Hydrogenation of pure ketene H 2 CCO ice versus hydrogenation of mixed H 2 CCO/H 2 O ice at 10 K

Formation of CO, CH4, H2CO and CH3CHO through the H2CCO + H surface reaction under interstellar conditions

Formation of CO, CH, HCO and CHCHO through the HCCO + H surface reaction under interstellar conditions

Formation of CO, CH 4 , H 2 CO and CH 3 CHO through the H 2 CCO + H surface reaction under interstellar conditions

Sodium, Potassium, and Calcium in Europa: An Atomic Journey through Water Ice

CO dissociation on magnetic Fe n clusters

CO dissociation on magnetic Fen clusters

Metal atom adsorption on a defective TiO2–x support

Reactivity of transition metal atoms supported or not on TiO2(110) toward CO and H adsorption

On the move of strongly chemisorbed species on metals: The example of O diffusion on Pd(111) surface

Support effect on H adsorption on a metal atom

Modeling Localized Photoinduced Electrons in Rutile-TiO2 Using Periodic DFT+U Methodology

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

Improved convergence of rutile-TiO2(110) slab properties with thickness by one-side saturation

CO dissociation on magnetic Fe sub(n) clusters

Core restructuring for magnetic Fe55 icosahedral nanoparticles

Global versus local adsorption selectivity

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