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Peptide Bonds in the Interstellar Medium: Facile Catalytic Formation from Nitriles on Water–Ice Grains

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-06, Vol.127 (25), p.5382-5389

2023

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Isotope Effect in D2O Negative Ion Formation in Electron Transfer Experiments: DO–D Bond Dissociation Energy

The journal of physical chemistry letters, 2023-06, Vol.14 (23), p.5362-5369

2023

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Proton-Induced Charge Transfer on Imidazole and 2‑Aminoimidazole. Role of the Substituent and Influence of Stepwise Hydration

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-02, Vol.124 (5), p.1003-1010

2020

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Propyl-cyanide isomer formation on interstellar ices from radical association: a quantum theoretical study

Monthly notices of the Royal Astronomical Society, 2023-05, Vol.522 (4), p.5254-5266

2023

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SF6 Negative Ion Formation in Charge Transfer Experiments

Molecules (Basel, Switzerland), 2024-08, Vol.29 (17), p.4118

2024

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Correction to “Isotope Effect in D2O Negative Ion Formation in Electron Transfer Experiments: DO–D Bond Dissociation Energy”

The journal of physical chemistry letters, 2023-10, Vol.14 (40), p.9002-9002

2023

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Competing mechanisms of catalytic H2 formation and dissociation on ultrasmall silicate nanocluster dust grains

Monthly notices of the Royal Astronomical Society, 2013-10, Vol.435 (2), p.1486-1492

2013

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Bound Electron Enhanced Radiosensitisation of Nimorazole upon Charge Transfer

Molecules (Basel, Switzerland), 2022-06, Vol.27 (13), p.4134

2022

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Understanding H2 Formation on Hydroxylated Pyroxene Nanoclusters: Ab Initio Study of the Reaction Energetics and Kinetics

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-10, Vol.123 (43), p.9282-9291

2019

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Understanding H 2 Formation on Hydroxylated Pyroxene Nanoclusters: Ab Initio Study of the Reaction Energetics and Kinetics

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-10, Vol.123 (43), p.9282-9291

2019

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Can calculated harmonic vibrational spectra rationalize the structure of TiC-based nanoparticles?

Physical chemistry chemical physics : PCCP, 2022-01, Vol.24 (2), p.778-785

2022

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Methanol Negative Ion Fragmentation Probed in Electron Transfer Experiments

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-02, Vol.126 (7), p.1076-1084

2022

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Low‐lying Negative Ion States Probed in Potassium – Ethanol Collisions

Chemphyschem, 2024-07, Vol.25 (14), p.e202400314-n/a

2024

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Quantum chemical study of the reaction paths and kinetics of acetaldehyde formation on a methanol-water ice model

RSC advances, 2022-06, Vol.12 (29), p.18994-19005

2022

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Understanding propyl cyanide and its isomers formation: ab initio study of the spectroscopy and reaction mechanisms

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (42), p.23375-23384

2019

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Quantum chemistry and dynamics of the abstraction reaction of H atoms from formaldehyde

Chemical physics, 2016-08, Vol.474, p.44-51

2016

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Isotopic effects in the collision of CH+ with He

Monthly notices of the Royal Astronomical Society, 2017-07, Vol.468 (3), p.2582-2589

2017

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Trends in the adsorption and reactivity of hydrogen on magnesium silicate nanoclusters

Physical chemistry chemical physics : PCCP, 2015-04, Vol.17 (14), p.8951-8963

2015

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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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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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Structures and binding energies for complexations of different spin states of Ni+ and Ni2+ to aromatic molecules

Molecular physics, 2019-06, Vol.117 (9-12), p.1392-1403

2019

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Exploring the interplay between ligand and topology in zeolitic imidazolate frameworks with computational chemistry

Molecular simulation, 2014-01, Vol.40 (1-3), p.25-32

2014

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Rate coefficients and kinetic isotope effects of the abstraction reaction of H atoms from methylsilane

Molecular physics, 2016-11, Vol.114 (22), p.3396-3406

2016

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Coordination complexes of 4-methylimidazole with Zn II and Cu II in gas phase and in water: a DFT study

Journal of molecular modeling, 2016-12, Vol.22 (12), p.301

2016

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Quantum scattering study of the abstraction reactions of H atoms from CH3NH2

Chemical physics letters, 2007-04, Vol.438 (1-3), p.1-7

2007

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Peptide Bonds in the Interstellar Medium: Facile Catalytic Formation from Nitriles on Water–Ice Grains

Isotope Effect in D2O Negative Ion Formation in Electron Transfer Experiments: DO–D Bond Dissociation Energy

Proton-Induced Charge Transfer on Imidazole and 2‑Aminoimidazole. Role of the Substituent and Influence of Stepwise Hydration

Propyl-cyanide isomer formation on interstellar ices from radical association: a quantum theoretical study

SF6 Negative Ion Formation in Charge Transfer Experiments

Correction to “Isotope Effect in D2O Negative Ion Formation in Electron Transfer Experiments: DO–D Bond Dissociation Energy”

Competing mechanisms of catalytic H2 formation and dissociation on ultrasmall silicate nanocluster dust grains

Bound Electron Enhanced Radiosensitisation of Nimorazole upon Charge Transfer

Understanding H2 Formation on Hydroxylated Pyroxene Nanoclusters: Ab Initio Study of the Reaction Energetics and Kinetics

Understanding H 2 Formation on Hydroxylated Pyroxene Nanoclusters: Ab Initio Study of the Reaction Energetics and Kinetics

Can calculated harmonic vibrational spectra rationalize the structure of TiC-based nanoparticles?

Methanol Negative Ion Fragmentation Probed in Electron Transfer Experiments

Low‐lying Negative Ion States Probed in Potassium – Ethanol Collisions

Quantum chemical study of the reaction paths and kinetics of acetaldehyde formation on a methanol-water ice model

Understanding propyl cyanide and its isomers formation: ab initio study of the spectroscopy and reaction mechanisms

Quantum chemistry and dynamics of the abstraction reaction of H atoms from formaldehyde

Isotopic effects in the collision of CH+ with He

Trends in the adsorption and reactivity of hydrogen on magnesium silicate nanoclusters

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

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

Structures and binding energies for complexations of different spin states of Ni+ and Ni2+ to aromatic molecules

Exploring the interplay between ligand and topology in zeolitic imidazolate frameworks with computational chemistry

Rate coefficients and kinetic isotope effects of the abstraction reaction of H atoms from methylsilane

Coordination complexes of 4-methylimidazole with Zn II and Cu II in gas phase and in water: a DFT study

Quantum scattering study of the abstraction reactions of H atoms from CH3NH2

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