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Theoretical Determination of Binding Energies of Small Molecules on Interstellar Ice Surfaces

Frontiers in astronomy and space sciences, 2021-03, Vol.8

2021

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Editorial: Understanding the Astrophysical Molecular Complexity: Theoretical and Experimental Investigations

Frontiers in astronomy and space sciences, 2022-04, Vol.9

2022

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The H + CO ⇌ HCO reaction studied by ab initio benchmark calculations

The Journal of chemical physics, 2013-10, Vol.139 (16), p.164310-164310

2013

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QM/MM Study of the H2 Formation on the Surface of a Water Ice Grain Doped With Formaldehyde: Molecular Dynamics and Reaction Kinetics

Frontiers in astronomy and space sciences, 2022-03, Vol.9

2022

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A global ab initio potential energy surface for the X 2A′ ground state of the Si + OH → SiO + H reaction

The Journal of chemical physics, 2013-11, Vol.139 (20)

2013

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On the electronic structure of methyl butyrate and methyl valerate

The European physical journal. D, Atomic, molecular, and optical physics, 2020, Vol.74 (7), Article 153

2020

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Theoretical Investigation of the Isomerization of trans-HCOH to H2CO: An Example of a Water-Catalyzed Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-08, Vol.115 (32), p.8983-8989

2011

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Ground state analytical ab initio intermolecular potential for the Cl2-water system

The Journal of chemical physics, 2015-04, Vol.142 (14)

2015

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Valence shell direct double photodetachment in polyanions

New journal of physics, 2013-06, Vol.15 (6), p.63024-10

2013

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Theoretical characterization of the kinetics of the multiphase ozonolysis of an aqueous maleic acid droplet

Aerosol science and technology, 2024-04, Vol.58 (4), p.337-355

2024

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Automatic Determination of the Non-Covalent Stable Conformations of the NO 2 -Pyrene Cluster in Full Dimensionality (81D) Using the vdW-TSSCDS Approach

Chemphyschem, 2024-05, Vol.25 (10), p.e202301001

2024

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Water ice deuteration: a tracer of the chemical history of protostars

Astronomy and astrophysics (Berlin), 2013-02, Vol.550, p.1-23

2013

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Carotenoids: Experimental Ionization Energies and Capacity at Inhibiting Lipid Peroxidation in a Chemical Model of Dietary Oxidative Stress

The journal of physical chemistry. B, 2018-06, Vol.122 (22), p.5860-5869

2018

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Unraveling Aqueous Alcohol Freezing : new theoretical tools from graph theory to extract molecular processes in MD simulations

Faraday discussions, 2024-10

2024

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The electronic structure of 2(5H)-thiophenone investigated by vacuum ultraviolet synchrotron radiation and theoretical calculations

The European physical journal. D, Atomic, molecular, and optical physics, 2023-11, Vol.77 (11), Article 202

2023

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Mechanism of Ultraviolet-Induced CO Desorption from CO Ice: Role of Vibrational Relaxation Highlighted

Physical review letters, 2023-12, Vol.131 (23), p.238001-238001, Article 238001

2023

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Spectroscopy and Photodissociation of the Perfluorooctanoate Anion

Chemistry : a European journal, 2018-10, Vol.24 (58), p.15572-15576

2018

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Photoionization of the Buckminsterfullerene Cation

The journal of physical chemistry letters, 2017-01, Vol.8 (1), p.7-12

2017

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Automatic Determination of the Non‐Covalent Stable Conformations of the NO2‐Pyrene Cluster in Full Dimensionality (81D) Using the vdW‐TSSCDS Approach

Chemphyschem, 2024-05, Vol.25 (10), p.e202301001-n/a

2024

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Water-Induced Organization of Palmitic Acid at the Surface of a Model Sea Salt Particle: A Molecular Dynamics Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-12, Vol.120 (51), p.10141-10149

2016

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Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-10, Vol.124 (41), p.8496-8508

2020

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Experimental scaling of plane-Born cross sections and ab initio assignments for electron-impact excitation and dissociation of XF 4 (X = C, Si, and Ge) molecules

The Journal of chemical physics, 2017-04, Vol.146 (14), p.144306

2017

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Toluene Valence and Rydberg Excitations as Studied by ab initio Calculations and Vacuum Ultraviolet (VUV) Synchrotron Radiation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-08, Vol.119 (34), p.9059-9069

2015

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A global ab initio potential energy surface for the X 2 A ′ ground state of the Si + OH → SiO + H reaction

The Journal of chemical physics, 2013-11, Vol.139 (20)

2013

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A Molecular Scale Investigation of Organic/Inorganic Ion Selectivity at the Air–Liquid Interface

ACS earth and space chemistry, 2022-07, Vol.6 (7), p.1698-1716

2022

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Theoretical Determination of Binding Energies of Small Molecules on Interstellar Ice Surfaces

Editorial: Understanding the Astrophysical Molecular Complexity: Theoretical and Experimental Investigations

The H + CO ⇌ HCO reaction studied by ab initio benchmark calculations

QM/MM Study of the H2 Formation on the Surface of a Water Ice Grain Doped With Formaldehyde: Molecular Dynamics and Reaction Kinetics

A global ab initio potential energy surface for the X 2A′ ground state of the Si + OH → SiO + H reaction

On the electronic structure of methyl butyrate and methyl valerate

Theoretical Investigation of the Isomerization of trans-HCOH to H2CO: An Example of a Water-Catalyzed Reaction

Ground state analytical ab initio intermolecular potential for the Cl2-water system

Valence shell direct double photodetachment in polyanions

Theoretical characterization of the kinetics of the multiphase ozonolysis of an aqueous maleic acid droplet

Automatic Determination of the Non-Covalent Stable Conformations of the NO 2 -Pyrene Cluster in Full Dimensionality (81D) Using the vdW-TSSCDS Approach

Water ice deuteration: a tracer of the chemical history of protostars

Carotenoids: Experimental Ionization Energies and Capacity at Inhibiting Lipid Peroxidation in a Chemical Model of Dietary Oxidative Stress

Unraveling Aqueous Alcohol Freezing : new theoretical tools from graph theory to extract molecular processes in MD simulations

The electronic structure of 2(5H)-thiophenone investigated by vacuum ultraviolet synchrotron radiation and theoretical calculations

Mechanism of Ultraviolet-Induced CO Desorption from CO Ice: Role of Vibrational Relaxation Highlighted

Spectroscopy and Photodissociation of the Perfluorooctanoate Anion

Photoionization of the Buckminsterfullerene Cation

Automatic Determination of the Non‐Covalent Stable Conformations of the NO2‐Pyrene Cluster in Full Dimensionality (81D) Using the vdW‐TSSCDS Approach

Water-Induced Organization of Palmitic Acid at the Surface of a Model Sea Salt Particle: A Molecular Dynamics Study

Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance

Experimental scaling of plane-Born cross sections and ab initio assignments for electron-impact excitation and dissociation of XF 4 (X = C, Si, and Ge) molecules

Toluene Valence and Rydberg Excitations as Studied by ab initio Calculations and Vacuum Ultraviolet (VUV) Synchrotron Radiation

A global ab initio potential energy surface for the X 2 A ′ ground state of the Si + OH → SiO + H reaction

A Molecular Scale Investigation of Organic/Inorganic Ion Selectivity at the Air–Liquid Interface

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