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A study of the thermodynamics and mechanisms of the atmospherically relevant reaction dimethyl sulphide (DMS) with atomic chlorine (Cl) in the absence and presence of water, using electronic structure methods

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (6), p.478-4793

2023

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An experimental and theoretical characterization of the electronic structure of doubly ionised disulfur

Scientific reports, 2022-07, Vol.12 (1), p.12236-12236, Article 12236

2022

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Single photon double and triple ionization of allene

Physical chemistry chemical physics : PCCP, 2022-01, Vol.24 (2), p.786-796

2022

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Spectroscopy of the Simplest Criegee Intermediate CH2OO: Simulation of the First Bands in Its Electronic and Photoelectron Spectra

Chemistry : a European journal, 2012-09, Vol.18 (39), p.12411-12423

2012

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Neutral and Cationic Complexes of Silicon(IV) Halides with Phosphine Ligands

Inorganic chemistry, 2022-10, Vol.61 (42), p.16905-16913

2022

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A study of the Group 1 metal tetra-aza macrocyclic complexes [M(Me 4 cyclen)(L)] + using electronic structure calculations

Dalton transactions : an international journal of inorganic chemistry, 2017, Vol.46 (44), p.15301-15310

2017

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Synthesis, Characterization, and Computational Studies on Gallium(III) and Iron(III) Complexes with a Pentadentate Macrocyclic bis-Phosphinate Chelator and Their Investigation As Molecular Scaffolds for 18F Binding

Inorganic chemistry, 2023-12, Vol.62 (50), p.20844-20857

2023

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Pyramidal Dicationic Ge(II) Complexes with Homoleptic Neutral Pnictine Coordination: A Combined Experimental and Density Functional Theory Study

Inorganic chemistry, 2021-08, Vol.60 (16), p.12100-12108

2021

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Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH3)2COO

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-01, Vol.121 (1), p.4-15

2017

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Comment on “Impact of water on the BrO + HO2 gas-phase reaction: mechanism, kinetics and products” by N. T. Tsona, S. Tang and L. Du, Phys. Chem. Chem. Phys., 2019, 21, 20296

Physical chemistry chemical physics : PCCP, 2021-03, Vol.23 (10), p.6309-6315

2021

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Direct measurement of Criegee intermediate (CH2OO) reactions with acetone, acetaldehyde, and hexafluoroacetone

Physical chemistry chemical physics : PCCP, 2012-08, Vol.14 (3), p.1391-14

2012

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Synthesis, Structures and DFT Calculations on Alkaline-Earth Metal Azide-Crown Ether Complexes

Chemistry : a European journal, 2008-03, Vol.14 (8), p.2615-2624

2008

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Tertiary Phosphine and Arsine Complexes of Phosphorus Pentafluoride: Synthesis, Properties, and Electronic Structures

Inorganic chemistry, 2020-04, Vol.59 (7), p.4517-4526

2020

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Contrasting Behavior in Azide Pyrolyses: An Investigation of the Thermal Decompositions of Methyl Azidoformate, Ethyl Azidoformate and 2-Azido-N, N-dimethylacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix Isolation Infrared Spectroscopy

Chemistry : a European journal, 2005-02, Vol.11 (5), p.1665-1676

2005

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The Atmospherically Important Reaction of Hydroxyl Radicals with Methyl Nitrate: A Theoretical Study Involving the Calculation of Reaction Mechanisms, Enthalpies, Activation Energies, and Rate Coefficients

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-09, Vol.121 (35), p.6554-6567

2017

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Regional and global impacts of Criegee intermediates on atmospheric sulphuric acid concentrations and first steps of aerosol formation

Faraday discussions, 2013-01, Vol.165, p.45-73

2013

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Unexpected Structural Diversity in Alkali Metal Azide-Crown Ether Complexes: Syntheses, X-ray Structures, and Quantum-Chemical Calculations

Chemistry : a European journal, 2006-03, Vol.12 (9), p.2620-2629

2006

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Simulation of the single-vibronic-level emission spectra of HAsO and DAsO

The Journal of chemical physics, 2016-05, Vol.144 (18), p.184303-184303

2016

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Sodium Thioether Macrocyclic Chemistry: Remarkable Homoleptic Octathia Coordination to Na+

Inorganic chemistry, 2015-03, Vol.54 (6), p.2497-2499

2015

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Synthesis and structural characterisation of germanium(II) halide complexes with neutral N-donor ligands

Dalton transactions : an international journal of inorganic chemistry, 2010-01, Vol.39 (3), p.847-856

2010

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Simulation of the photodetachment spectrum of HHfO− using coupled-cluster calculations

The Journal of chemical physics, 2016-12, Vol.145 (24), p.244303-244303

2016

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Rate coefficients of the CF3CHFCF3 + H → CF3CFCF3 + H2 reaction at different temperatures calculated by transition state theory with ab initio and DFT reaction paths

Journal of computational chemistry, 2013-03, Vol.34 (7), p.545-557

2013

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Use of the ultraviolet absorption spectrum of CF2 to determine the spatially resolved absolute CF2 density, rotational temperature, and vibrational distribution in a plasma etching reactor

The Journal of chemical physics, 2004-05, Vol.120 (20), p.9499-9508

2004

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Rate Coefficients of the Cl + CH3C(O)OCH3 → HCl + CH3C(O)OCH2 Reaction at Different Temperatures Calculated by Transition-State Theory with ab Initio and Density Functional Theory Reaction Paths

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-03, Vol.118 (11), p.2040-2055

2014

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A Study of H2O2 with Threshold Photoelectron Spectroscopy (TPES) and Electronic Structure Calculations: Redetermination of the First Adiabatic Ionization Energy (AIE)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (27), p.5220-5229

2016

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A study of the thermodynamics and mechanisms of the atmospherically relevant reaction dimethyl sulphide (DMS) with atomic chlorine (Cl) in the absence and presence of water, using electronic structure methods

An experimental and theoretical characterization of the electronic structure of doubly ionised disulfur

Single photon double and triple ionization of allene

Spectroscopy of the Simplest Criegee Intermediate CH2OO: Simulation of the First Bands in Its Electronic and Photoelectron Spectra

Neutral and Cationic Complexes of Silicon(IV) Halides with Phosphine Ligands

A study of the Group 1 metal tetra-aza macrocyclic complexes [M(Me 4 cyclen)(L)] + using electronic structure calculations

Synthesis, Characterization, and Computational Studies on Gallium(III) and Iron(III) Complexes with a Pentadentate Macrocyclic bis-Phosphinate Chelator and Their Investigation As Molecular Scaffolds for 18F Binding

Pyramidal Dicationic Ge(II) Complexes with Homoleptic Neutral Pnictine Coordination: A Combined Experimental and Density Functional Theory Study

Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH3)2COO

Comment on “Impact of water on the BrO + HO2 gas-phase reaction: mechanism, kinetics and products” by N. T. Tsona, S. Tang and L. Du, Phys. Chem. Chem. Phys., 2019, 21, 20296

Direct measurement of Criegee intermediate (CH2OO) reactions with acetone, acetaldehyde, and hexafluoroacetone

Synthesis, Structures and DFT Calculations on Alkaline-Earth Metal Azide-Crown Ether Complexes

Tertiary Phosphine and Arsine Complexes of Phosphorus Pentafluoride: Synthesis, Properties, and Electronic Structures

Contrasting Behavior in Azide Pyrolyses: An Investigation of the Thermal Decompositions of Methyl Azidoformate, Ethyl Azidoformate and 2-Azido-N, N-dimethylacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix Isolation Infrared Spectroscopy

The Atmospherically Important Reaction of Hydroxyl Radicals with Methyl Nitrate: A Theoretical Study Involving the Calculation of Reaction Mechanisms, Enthalpies, Activation Energies, and Rate Coefficients

Regional and global impacts of Criegee intermediates on atmospheric sulphuric acid concentrations and first steps of aerosol formation

Unexpected Structural Diversity in Alkali Metal Azide-Crown Ether Complexes: Syntheses, X-ray Structures, and Quantum-Chemical Calculations

Simulation of the single-vibronic-level emission spectra of HAsO and DAsO

Sodium Thioether Macrocyclic Chemistry: Remarkable Homoleptic Octathia Coordination to Na+

Synthesis and structural characterisation of germanium(II) halide complexes with neutral N-donor ligands

Simulation of the photodetachment spectrum of HHfO− using coupled-cluster calculations

Rate coefficients of the CF3CHFCF3 + H → CF3CFCF3 + H2 reaction at different temperatures calculated by transition state theory with ab initio and DFT reaction paths

Use of the ultraviolet absorption spectrum of CF2 to determine the spatially resolved absolute CF2 density, rotational temperature, and vibrational distribution in a plasma etching reactor

Rate Coefficients of the Cl + CH3C(O)OCH3 → HCl + CH3C(O)OCH2 Reaction at Different Temperatures Calculated by Transition-State Theory with ab Initio and Density Functional Theory Reaction Paths

A Study of H2O2 with Threshold Photoelectron Spectroscopy (TPES) and Electronic Structure Calculations: Redetermination of the First Adiabatic Ionization Energy (AIE)

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