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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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A theoretical study of the atmospherically important radical-radical reaction BrO + HO 2 ; the product channel O 2 (a 1 Δ g ) + HOBr is formed with the highest rate

Physical chemistry chemical physics : PCCP, 2016-11, Vol.18 (44), p.30554-30569

2016

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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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Reaction between CH3O2 and BrO Radicals: A New Source of Upper Troposphere Lower Stratosphere Hydroxyl Radicals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-05, Vol.119 (19), p.4618-4632

2015

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A theoretical investigation of the atmospherically important reaction between chlorine atoms and formic acid: determination of the reaction mechanism and calculation of the rate coefficient at different temperatures

Molecular physics, 2015-07, Vol.113 (13-14), p.1511-1533

2015

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Can Cyclen Bind Alkali Metal Azides? A DFT Study as a Precursor to Synthesis

Chemistry : a European journal, 2016-03, Vol.22 (13), p.4469-4482

2016

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A theoretical study of the atmospherically important radical-radical reaction BrO + HO2; the product channel O2(a1Δg) + HOBr is formed with the highest rate

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (44), p.30554-30569

2016

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Franck-Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity

The Journal of chemical physics, 2004-01, Vol.120 (3), p.1292-1305

2004

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A Study of the Atmospherically Important Reactions between Dimethyl Selenide (DMSe) and Molecular Halogens (X2 = Cl2, Br2, and I2) with ab initio Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-06, Vol.116 (23), p.5595-5603

2012

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Photoionization studies of reactive intermediates using synchrotron radiationElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00623k

Dyke, John M

2019-05

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Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH 3 ) 2 COO

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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Theoretical Study of the Gas-Phase Chemiionization Reactions La + O and La + O2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-08, Vol.112 (34), p.7825-7830

2008

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Development and testing of a compact basis set for use in effective core potential calculations on rhodium complexes

Journal of computational chemistry, 2012-10, Vol.33 (26), p.2049-2057

2012

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Simulation of the single-vibronic-level emission spectrum of HPS

The Journal of chemical physics, 2014-05, Vol.140 (19), p.194311-194311

2014

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A study of the ethene-ozone reaction with photoelectron spectroscopy: measurement of product branching ratios and atmospheric implications

Physical chemistry chemical physics : PCCP, 2011-09, Vol.13 (33), p.14839-14847

2011

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A theoretical study of the mechanism of the atmospherically relevant reaction of chlorine atoms with methyl nitrate, and calculation of the reaction rate coefficients at temperatures relevant to the troposphere

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (11), p.7463-7476

2015

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Threshold photoelectron spectroscopy of vibrationally excited nitrogen

Journal of physics. B, Atomic, molecular, and optical physics, 2013-02, Vol.46 (4), p.45002-1-13

2013

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Spectroscopic study of the reaction between Br2 and dimethyl sulfide (DMS), and comparison with a parallel study made on Cl2 + DMS: possible atmospheric implications

Physical chemistry chemical physics : PCCP, 2010-03, Vol.12 (9), p.2075-2082

2010

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

A theoretical study of the atmospherically important radical-radical reaction BrO + HO 2 ; the product channel O 2 (a 1 Δ g ) + HOBr is formed with the highest rate

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)

Reaction between CH3O2 and BrO Radicals: A New Source of Upper Troposphere Lower Stratosphere Hydroxyl Radicals

A theoretical investigation of the atmospherically important reaction between chlorine atoms and formic acid: determination of the reaction mechanism and calculation of the rate coefficient at different temperatures

Can Cyclen Bind Alkali Metal Azides? A DFT Study as a Precursor to Synthesis

A theoretical study of the atmospherically important radical-radical reaction BrO + HO2; the product channel O2(a1Δg) + HOBr is formed with the highest rate

Franck-Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity

A Study of the Atmospherically Important Reactions between Dimethyl Selenide (DMSe) and Molecular Halogens (X2 = Cl2, Br2, and I2) with ab initio Calculations

Photoionization studies of reactive intermediates using synchrotron radiationElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00623k

Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH 3 ) 2 COO

Theoretical Study of the Gas-Phase Chemiionization Reactions La + O and La + O2

Development and testing of a compact basis set for use in effective core potential calculations on rhodium complexes

Simulation of the single-vibronic-level emission spectrum of HPS

A study of the ethene-ozone reaction with photoelectron spectroscopy: measurement of product branching ratios and atmospheric implications

A theoretical study of the mechanism of the atmospherically relevant reaction of chlorine atoms with methyl nitrate, and calculation of the reaction rate coefficients at temperatures relevant to the troposphere

Threshold photoelectron spectroscopy of vibrationally excited nitrogen

Spectroscopic study of the reaction between Br2 and dimethyl sulfide (DMS), and comparison with a parallel study made on Cl2 + DMS: possible atmospheric implications

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