List of works - Charles Edwin Webster

A Theoretical Study of Phosphoryl Transfers of Tyrosyl-DNA Phosphodiesterase I (Tdp1) and the Possibility of a "Dead-End" Phosphohistidine Intermediate

scientific article

Bimetallic cluster complexes: the synthesis, structures, and bonding of ruthenium carbonyl cluster complexes containing palladium and platinum with the bulky tri-tert-butyl-phosphine ligand.

scientific article published in April 2004

Bond energies, reaction volumes, and kinetics for σ- and π-complexes of MoCO5L

scientific article published on 22 July 2011

Calibrating Reaction Enthalpies: Use of Density Functional Theory and the Correlation Consistent Composite Approach in the Design of Photochromic Materials

scientific article published on 12 December 2016

Carbon-Hydrogen Bond Activation in Hydridotris(pyrazolyl)borate Platinum(IV) Complexes: Comparison of Density Functionals, Basis Sets, and Bonding Patterns

scientific article published on 01 November 2007

Computational insights into degenerate ethylene exchange with a Grubbs-type catalyst

scientific article published on 24 May 2007

Controlling Photoisomerization Reactivity Through Single Functional Group Substitutions in Ruthenium Phosphine Sulfoxide Complexes

scientific article published on 30 July 2018

Electrocatalytic and photocatalytic hydrogen production in aqueous solution by a molecular cobalt complex

scientific article published on 26 April 2012

Electronic and Steric Tuning of Catalytic H2 Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands

scientific article published on 16 July 2018

Electronic and steric effects on molecular dihydrogen activation in [CpOsH4(L)]+ (L = PPh3, AsPh3, and PCy3)

scientific article published on 01 November 2005

Electronic effects on a mononuclear Co complex with a pentadentate ligand for catalytic H₂ evolution

scientific article published on 23 September 2014

Experimental and computational evidence for a boron-assisted, sigma-bond metathesis pathway for alkane borylation

scientific article published in January 2003

Extremely twisted and bent pyrene-fused N-heterocyclic germylenes

scientific article published on 27 November 2019

High nuclearity iridium-platinum clusters: synthesis, structures, bonding, and reactivity

scientific article published on 01 January 2005

High-energy intermediate or stable transition state analogue: theoretical perspective of the active site and mechanism of beta-phosphoglucomutase

scientific article

Highly Active Ruthenium CNC Pincer Photocatalysts for Visible-Light-Driven Carbon Dioxide Reduction

scientific article published on 07 June 2019

Metal-ligand synergistic effects in the complex Ni(η(2)-TEMPO)2: synthesis, structures, and reactivity.

scientific article

Minimum Energy Structure of Hydridotris(pyrazolyl)borato Iridium(V) Tetrahydride Is Not aC3vCapped Octahedron

scientific article published on 01 October 2001

Near attack conformers dominate -phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate

scientific article

Nickel(ii) pincer complexes demonstrate that the remote substituent controls catalytic carbon dioxide reduction

scientific article published on 21 March 2018

Phosphoryl transfers of the phospholipase D superfamily: a quantum mechanical theoretical study.

scientific article published on 5 September 2013

Platinum CCC-NHC benzimidazolyl pincer complexes: synthesis, characterization, photostability, and theoretical investigation of a blue-green emitter.

scientific article published on 3 May 2013

Predicting Absorption and Emission Maxima of Polycyclic Aromatic Azaborines: Reliable Transition Energies and Character

scientific article published on 04 January 2021

Prediction of the reduction potential in transition-metal containing complexes: How expensive? For what accuracy?

scientific article

Rhodium silyl boryl hydride complexes: comparison of bonding and the rates of elimination of borane, silane, and dihydrogen

scientific article published on 01 October 2004

Structures and energetics of models for the active site of acetyl-coenzyme a synthase: role of distal and proximal metals in catalysis

scientific article published in March 2004

Synthesis of C-Unsubstituted 1,2-Diazetidines and Their Ring-Opening Reactions via Selective N-N Bond Cleavage

scientific article published on 26 June 2018

Synthesis, characterization, photophysical properties, and catalytic activity of an SCS bis(N-heterocyclic thione) (SCS-NHT) Pd pincer complex

scientific article published on 01 August 2015

The role of triplet states in the long wavelength absorption region of bromine nitrate

scholarly article by Kirk A. Peterson et al published 15 October 2003 in Journal of Chemical Physics

Theoretical studies of cyclic adenosine monophosphate dependent protein kinase: native enzyme and ground-state and transition-state analogues.

scientific article published in February 2014

Time-resolved infrared studies of a trimethylphosphine model derivative of [FeFe]-hydrogenase

scientific article published on 28 October 2013

Time-resolved vibrational spectroscopy of [FeFe]-hydrogenase model compounds

scientific article published on 11 June 2012

Transmetallation from CCC-NHC pincer Zr complexes in the synthesis of air-stable CCC-NHC pincer Co(iii) complexes and initial hydroboration trials

scientific article published on 27 January 2016

Water oxidation by mononuclear ruthenium complexes with TPA-based ligands

scientific article published on 14 October 2011

List of works by Charles Edwin Webster

A Theoretical Study of Phosphoryl Transfers of Tyrosyl-DNA Phosphodiesterase I (Tdp1) and the Possibility of a "Dead-End" Phosphohistidine Intermediate

Bimetallic cluster complexes: the synthesis, structures, and bonding of ruthenium carbonyl cluster complexes containing palladium and platinum with the bulky tri-tert-butyl-phosphine ligand.

Bond energies, reaction volumes, and kinetics for σ- and π-complexes of MoCO5L

Calibrating Reaction Enthalpies: Use of Density Functional Theory and the Correlation Consistent Composite Approach in the Design of Photochromic Materials

Carbon-Hydrogen Bond Activation in Hydridotris(pyrazolyl)borate Platinum(IV) Complexes: Comparison of Density Functionals, Basis Sets, and Bonding Patterns

Computational insights into degenerate ethylene exchange with a Grubbs-type catalyst

Controlling Photoisomerization Reactivity Through Single Functional Group Substitutions in Ruthenium Phosphine Sulfoxide Complexes

Electrocatalytic and photocatalytic hydrogen production in aqueous solution by a molecular cobalt complex

Electronic and Steric Tuning of Catalytic H2 Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands

Electronic and steric effects on molecular dihydrogen activation in [CpOsH4(L)]+ (L = PPh3, AsPh3, and PCy3)

Electronic effects on a mononuclear Co complex with a pentadentate ligand for catalytic H₂ evolution

Experimental and computational evidence for a boron-assisted, sigma-bond metathesis pathway for alkane borylation

Extremely twisted and bent pyrene-fused N-heterocyclic germylenes

High nuclearity iridium-platinum clusters: synthesis, structures, bonding, and reactivity

High-energy intermediate or stable transition state analogue: theoretical perspective of the active site and mechanism of beta-phosphoglucomutase

Highly Active Ruthenium CNC Pincer Photocatalysts for Visible-Light-Driven Carbon Dioxide Reduction

Metal-ligand synergistic effects in the complex Ni(η(2)-TEMPO)2: synthesis, structures, and reactivity.

Minimum Energy Structure of Hydridotris(pyrazolyl)borato Iridium(V) Tetrahydride Is Not aC3vCapped Octahedron

Near attack conformers dominate -phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate

Nickel(ii) pincer complexes demonstrate that the remote substituent controls catalytic carbon dioxide reduction

Phosphoryl transfers of the phospholipase D superfamily: a quantum mechanical theoretical study.

Platinum CCC-NHC benzimidazolyl pincer complexes: synthesis, characterization, photostability, and theoretical investigation of a blue-green emitter.

Predicting Absorption and Emission Maxima of Polycyclic Aromatic Azaborines: Reliable Transition Energies and Character

Prediction of the reduction potential in transition-metal containing complexes: How expensive? For what accuracy?

Rhodium silyl boryl hydride complexes: comparison of bonding and the rates of elimination of borane, silane, and dihydrogen

Structures and energetics of models for the active site of acetyl-coenzyme a synthase: role of distal and proximal metals in catalysis

Synthesis of C-Unsubstituted 1,2-Diazetidines and Their Ring-Opening Reactions via Selective N-N Bond Cleavage

Synthesis, characterization, photophysical properties, and catalytic activity of an SCS bis(N-heterocyclic thione) (SCS-NHT) Pd pincer complex

The role of triplet states in the long wavelength absorption region of bromine nitrate

Theoretical studies of cyclic adenosine monophosphate dependent protein kinase: native enzyme and ground-state and transition-state analogues.

Time-resolved infrared studies of a trimethylphosphine model derivative of [FeFe]-hydrogenase

Time-resolved vibrational spectroscopy of [FeFe]-hydrogenase model compounds

Transmetallation from CCC-NHC pincer Zr complexes in the synthesis of air-stable CCC-NHC pincer Co(iii) complexes and initial hydroboration trials

Water oxidation by mononuclear ruthenium complexes with TPA-based ligands