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Gas-phase formation of acetaldehyde: review and new theoretical computations

Monthly notices of the Royal Astronomical Society, 2020-12, Vol.499 (4), p.5547-5561

2020

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TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes

Journal of chemical theory and computation, 2015-07, Vol.11 (7), p.3281-3289

2015

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The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid

The Astrophysical journal, 2018-02, Vol.854 (2), p.135

2018

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State-of-the-Art Thermochemical and Kinetic Computations for Astrochemical Complex Organic Molecules: Formamide Formation in Cold Interstellar Clouds as a Case Study

Journal of chemical theory and computation, 2016-11, Vol.12 (11), p.5385-5397

2016

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Interstellar dimethyl ether gas-phase formation: a quantum chemistry and kinetics study

Monthly notices of the Royal Astronomical Society, 2019-01, Vol.482 (3), p.3567-3575

2019

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CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS

The Astrophysical journal, 2015-09, Vol.810 (2), p.1-10

2015

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Enhanced Tendon-to-Bone Healing via IKKβ Inhibition in a Rat Rotator Cuff Model

The American journal of sports medicine, 2021-03, Vol.49 (3), p.780-789

2021

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Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction

Molecules (Basel, Switzerland), 2022-04, Vol.27 (7), p.2297

2022

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Distal biceps tendon repair using both an anchor and a bone tunnel via one and a second stab incision: A retrospective study

Journal of orthopaedic surgery (Hong Kong), 2018-01, Vol.26 (1), p.2309499018757531-2309499018757531

2018

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Time-dependent calculations on systems of chemical interest: Dynamical and kinetic approaches

International journal of quantum chemistry, 2016-11, Vol.116 (22), p.1618-1622

Skouteris, Dimitrios

2016

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Quantum Mechanical Simulations of the Radical–Radical Chemistry on Icy Surfaces

The Astrophysical journal. Supplement series, 2022-04, Vol.259 (2), p.39

2022

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Quantum Chemical Computations of Gas-phase Glycolaldehyde Deuteration and Constraints on Its Formation Route

The Astrophysical journal, 2022-12, Vol.941 (2), p.196

2022

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Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains

Astronomy and astrophysics (Berlin), 2021-11, Vol.655, p.A9

2021

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Can Formamide Be Formed on Interstellar Ice? An Atomistic Perspective

ACS earth and space chemistry, 2018-07, Vol.2 (7), p.720-734

2018

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High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases

Journal of chemical theory and computation, 2014-10, Vol.10 (10), p.4565-4573

2014

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Unsaturated Dinitriles Formation Routes in Extraterrestrial Environments: A Combined Experimental and Theoretical Investigation of the Reaction between Cyano Radicals and Cyanoethene (C2H3CN)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-06, Vol.126 (22), p.3569-3582

2022

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Can astronomical observations be used to constrain crucial chemical reactions? The methoxy case. SOLIS XVIII

Monthly notices of the Royal Astronomical Society, 2024-02, Vol.528 (4), p.6706-6719

2024

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The Reaction N(2D) + CH3CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-10, Vol.125 (40), p.8846-8859

2021

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A computational characterization of the reaction mechanisms for the reactions N(2D) + CH3CN and HC3N and implications for the nitrogen-rich organic chemistry of Titan

Computational and theoretical chemistry, 2023-11, Vol.1229, p.114341, Article 114341

2023

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Reactivity of HCO with CH3 and NH2 on Water Ice Surfaces. A Comprehensive Accurate Quantum Chemistry Study

ACS earth and space chemistry, 2019-10, Vol.3 (10), p.2158-2170

2019

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The N(2D) + CH2CHCN (Vinyl Cyanide) Reaction: A Combined Crossed Molecular Beam and Theoretical Study and Implications for the Atmosphere of Titan

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-09, Vol.126 (36), p.6110-6123

2022

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Quantum dynamics of H atom transmission across carbon nanotubes

Theoretical chemistry accounts, 2007-07, Vol.118 (1), p.47-52

2007

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Low temperature kinetics and theoretical studies of the reaction CN + CH3NH2: a potential source of cyanamide and methyl cyanamide in the interstellar medium

Physical chemistry chemical physics : PCCP, 2018-02, Vol.2 (8), p.5478-5489

2018

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MCTDH calculations on the rigid OH radical moving along a (10,0) carbon nanotube

Chemical physics letters, 2013-06, Vol.575, p.18-22

2013

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Possible scenarios for SiS formation in the interstellar medium: Electronic structure calculations of the potential energy surfaces for the reactions of the SiH radical with atomic sulphur and S2

Chemical physics letters, 2018-03, Vol.695, p.87-93

2018

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Gas-phase formation of acetaldehyde: review and new theoretical computations

TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes

The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid

State-of-the-Art Thermochemical and Kinetic Computations for Astrochemical Complex Organic Molecules: Formamide Formation in Cold Interstellar Clouds as a Case Study

Interstellar dimethyl ether gas-phase formation: a quantum chemistry and kinetics study

CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS

Enhanced Tendon-to-Bone Healing via IKKβ Inhibition in a Rat Rotator Cuff Model

Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction

Distal biceps tendon repair using both an anchor and a bone tunnel via one and a second stab incision: A retrospective study

Time-dependent calculations on systems of chemical interest: Dynamical and kinetic approaches

Quantum Mechanical Simulations of the Radical–Radical Chemistry on Icy Surfaces

Quantum Chemical Computations of Gas-phase Glycolaldehyde Deuteration and Constraints on Its Formation Route

Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains

Can Formamide Be Formed on Interstellar Ice? An Atomistic Perspective

High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases

Unsaturated Dinitriles Formation Routes in Extraterrestrial Environments: A Combined Experimental and Theoretical Investigation of the Reaction between Cyano Radicals and Cyanoethene (C2H3CN)

Can astronomical observations be used to constrain crucial chemical reactions? The methoxy case. SOLIS XVIII

The Reaction N(2D) + CH3CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan

A computational characterization of the reaction mechanisms for the reactions N(2D) + CH3CN and HC3N and implications for the nitrogen-rich organic chemistry of Titan

Reactivity of HCO with CH3 and NH2 on Water Ice Surfaces. A Comprehensive Accurate Quantum Chemistry Study

The N(2D) + CH2CHCN (Vinyl Cyanide) Reaction: A Combined Crossed Molecular Beam and Theoretical Study and Implications for the Atmosphere of Titan

Quantum dynamics of H atom transmission across carbon nanotubes

Low temperature kinetics and theoretical studies of the reaction CN + CH3NH2: a potential source of cyanamide and methyl cyanamide in the interstellar medium

MCTDH calculations on the rigid OH radical moving along a (10,0) carbon nanotube

Possible scenarios for SiS formation in the interstellar medium: Electronic structure calculations of the potential energy surfaces for the reactions of the SiH radical with atomic sulphur and S2

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