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Computational Studies of Auto-Active van der Waals Interaction Molecules on Ultra-Thin Black-Phosphorus Film

Molecules (Basel, Switzerland), 2023-01, Vol.28 (2), p.681

2023

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Exploring Antiviral Drugs on Monolayer Black Phosphorene: Atomistic Theory and Explainable Machine Learning-Assisted Platform

International journal of molecular sciences, 2024-05, Vol.25 (9), p.4897

2024

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Synergy of Small Antiviral Molecules on a Black-Phosphorus Nanocarrier: Machine Learning and Quantum Chemical Simulation Insights

Molecules (Basel, Switzerland), 2023-04, Vol.28 (8), p.3521

2023

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Size-dependent permittivity and intrinsic optical anisotropy of nanometric gold thin films: a density functional theory study

Optics express, 2013-05, Vol.21 (10), p.11827-11838

2013

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A Peculiar Binding Characterization of DNA (RNA) Nucleobases at MoOS-Based Janus Biosensor: Dissimilar Facets Role on Selectivity and Sensitivity

Biosensors (Basel), 2022-06, Vol.12 (7), p.442

2022

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Ab-Initio Investigations of Magnetic Properties and Induced Half-Metallicity in Ga1−xMnxP (x = 0.03, 0.25, 0.5, and 0.75) Alloys

Materials, 2017-07, Vol.10 (7), p.766

2017

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Ethers on Si(001): A Prime Example for the Common Ground between Surface Science and Molecular Organic Chemistry

Angewandte Chemie International Edition, 2017-11, Vol.56 (47), p.15150-15154

International ed. in English, 2017

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Elusive Dzyaloshinskii-Moriya interaction in monolayer Fe3GeTe2

Physical review. B, 2020-08, Vol.102 (6), p.1

2020

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Ether auf Si(001): Ein Paradebeispiel für die Gemeinsamkeiten zwischen Oberflächenwissenschaften und organischer Molekülchemie

Angewandte Chemie, 2017-11, Vol.129 (47), p.15347-15351

2017

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Elusive Dzyaloshinskii-Moriya interaction in monolayer Fe 3 GeTe 2

Physical review. B, 2020-08, Vol.102 (6), Article 060402

2020

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Theoretical elucidation of the selectivity changes for the hydrogenation of unsaturated aldehydes on Pt(1 1 1)

Chinese journal of catalysis, 2009-07, Vol.265 (1), p.35-42

2009

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Janus monolayers of magnetic transition metal dichalcogenides as an all-in-one platform for spin-orbit torque

Physical review. B, 2021-09, Vol.104 (10), p.1, Article 104415

2021

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Complex Surface Chemistry of an Otherwise Inert Solvent Molecule: Tetrahydrofuran on Si(001)

Chemphyschem, 2014-12, Vol.15 (17), p.3725-3728

2014

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Induced spin textures at 3 d transition metal–topological insulator interfaces

Physical review. B, 2020-06, Vol.101 (22), Article 220410

2020

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Ab-Initio Investigations of Magnetic Properties and Induced Half-Metallicity in Ga 1-x Mn x P (x = 0.03, 0.25, 0.5, and 0.75) Alloys

Materials, 2017-07, Vol.10 (7)

2017

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Anisotropic permittivity of ultra-thin crystalline Au films: Impacts on the plasmonic response of metasurfaces

Applied physics letters, 2013-08, Vol.103 (9)

2013

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Induced spin textures at 3d transition metal–topological insulator interfaces

Physical review. B, 2020-06, Vol.101 (22), p.1

2020

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A multiscale physical model for the transient analysis of PEM water electrolyzer anodes

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (29), p.1215-1224

2012

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A computational investigation of adsorption of organics on mineral surfaces: Implications for organics delivery in the early solar system

Earth and planetary science letters, 2014-12, Vol.408, p.355-361

2014

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Ether auf Si(001): Ein Paradebeispiel für die Gemeinsamkeiten zwischen Oberflächenwissenschaften und organischer Molekülchemie

Angewandte Chemie, 2017-11, Vol.129 (47), p.15347-15351

2017

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A first-principles characterization of water adsorption on forsterite grains

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2013-07, Vol.371 (1994), p.20110582-20110582

2013

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A first-principles characterization of water adsorption on forsterite grains

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2013-07, Vol.371 (1994), p.1-8

2013

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Nature of adhesion of condensed organic films on platinum by first-principles simulations

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (25), p.11827-11837

2011

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Opto-Electronic Study of Sic Polytypes : Simulation With Semi-Empirical Tight-Binding Approach

Laref, Amel

2011

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A Multiscale Model for the Transient Analysis of Lithium-Ion Batteries

Meeting abstracts (Electrochemical Society), 2012-02, Vol.MA2012-01 (9), p.534-534

2012

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Computational Studies of Auto-Active van der Waals Interaction Molecules on Ultra-Thin Black-Phosphorus Film

Exploring Antiviral Drugs on Monolayer Black Phosphorene: Atomistic Theory and Explainable Machine Learning-Assisted Platform

Synergy of Small Antiviral Molecules on a Black-Phosphorus Nanocarrier: Machine Learning and Quantum Chemical Simulation Insights

Size-dependent permittivity and intrinsic optical anisotropy of nanometric gold thin films: a density functional theory study

A Peculiar Binding Characterization of DNA (RNA) Nucleobases at MoOS-Based Janus Biosensor: Dissimilar Facets Role on Selectivity and Sensitivity

Ab-Initio Investigations of Magnetic Properties and Induced Half-Metallicity in Ga1−xMnxP (x = 0.03, 0.25, 0.5, and 0.75) Alloys

Ethers on Si(001): A Prime Example for the Common Ground between Surface Science and Molecular Organic Chemistry

Elusive Dzyaloshinskii-Moriya interaction in monolayer Fe3GeTe2

Ether auf Si(001): Ein Paradebeispiel für die Gemeinsamkeiten zwischen Oberflächenwissenschaften und organischer Molekülchemie

Elusive Dzyaloshinskii-Moriya interaction in monolayer Fe 3 GeTe 2

Theoretical elucidation of the selectivity changes for the hydrogenation of unsaturated aldehydes on Pt(1 1 1)

Janus monolayers of magnetic transition metal dichalcogenides as an all-in-one platform for spin-orbit torque

Complex Surface Chemistry of an Otherwise Inert Solvent Molecule: Tetrahydrofuran on Si(001)

Induced spin textures at 3 d transition metal–topological insulator interfaces

Ab-Initio Investigations of Magnetic Properties and Induced Half-Metallicity in Ga 1-x Mn x P (x = 0.03, 0.25, 0.5, and 0.75) Alloys

Anisotropic permittivity of ultra-thin crystalline Au films: Impacts on the plasmonic response of metasurfaces

Induced spin textures at 3d transition metal–topological insulator interfaces

A multiscale physical model for the transient analysis of PEM water electrolyzer anodes

A computational investigation of adsorption of organics on mineral surfaces: Implications for organics delivery in the early solar system

Ether auf Si(001): Ein Paradebeispiel für die Gemeinsamkeiten zwischen Oberflächenwissenschaften und organischer Molekülchemie

A first-principles characterization of water adsorption on forsterite grains

A first-principles characterization of water adsorption on forsterite grains

Nature of adhesion of condensed organic films on platinum by first-principles simulations

Opto-Electronic Study of Sic Polytypes : Simulation With Semi-Empirical Tight-Binding Approach

A Multiscale Model for the Transient Analysis of Lithium-Ion Batteries

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