Web Access Research Portal

Researcher: Yates, BF (Professor Brian Yates)

Fields of Research

Organometallic Chemistry
Transition Metal Chemistry
Theoretical and Computational Chemistry
Quantum Chemistry
Catalysis and Mechanisms of Reactions
f-Block Chemistry
Industrial Chemistry
Physical Organic Chemistry
Medicinal and Biomolecular Chemistry
Science, Technology and Engineering Curriculum and Pedagogy
Higher Education
Main Group Metal Chemistry
Organic Chemical Synthesis
Education
Structural Chemistry and Spectroscopy
Colloid and Surface Chemistry
Free Radical Chemistry
Chemical Thermodynamics and Energetics
Curriculum and Pedagogy Theory and Development
Palaeoclimatology
Reaction Kinetics and Dynamics
Bioinorganic Chemistry
Chemical Sciences
Earth Sciences
Bacteriology
Electrochemistry
Medical Biotechnology
Microbiology
Oceanography
Information Retrieval and Web Search
Glaciology
Ship and Platform Hydrodynamics
Gene Expression (incl. Microarray and other genome-wide approaches)
Separation Science
Electroanalytical Chemistry
Theory and Design of Materials
Timber, Pulp and Paper
Medical Biochemistry: Proteins and Peptides (incl. Medical Proteomics)

Research Objectives

Expanding Knowledge in the Chemical Sciences
Organic Industrial Chemicals (excl. Resins, Rubber and Plastics)
Wood, Wood Products and Paper
Learner and Learning Processes
Industrial Chemicals and Related Products
Pulp and Paper
Education and Training
Education and Training Systems
Teaching and Instruction
Assessment and Evaluation of Curriculum
Food Safety
Human Diagnostics
Social Impacts of Climate Change and Variability
Nervous System and Disorders
Dairy Cattle
Learner Development
Teacher and Instructor Development
Atmosphere and Weather
Inorganic Industrial Chemicals
Rubber and Synthetic Resins
Diagnostic Methods
Health Education and Promotion
Environmentally Sustainable Manufacturing
Human Pharmaceutical Treatments (e.g. Antibiotics)
Climate Change Adaptation Measures
Climate Variability (excl. Social Impacts)
Antarctic and Sub-Antarctic Land and Water Management
Human Pharmaceutical Products
Plant Production and Plant Primary Products
Nautical Equipment (excl. Yachts)
Wood Sawing and Veneer
Cancer and Related Disorders
Primary Mining and Extraction of Mineral Resources
Plastic Products (incl. Construction Materials)
Management of Greenhouse Gas Emissions from Manufacturing Activities
Plastics in Primary Forms
Printing and Publishing Processes
Diabetes

Career Best Publications

Basicity of Nucleophilic Carbenes in Aqueous and Nonaqueous Solvents - Theoretical Predictions; Journal of the American Chemical Society
Cu-catalyzed fluorination of diaryliodonium salts with KF; Organic Letters
DFT Study on the Mechanism of the Activation and Cleavage of CO2 by (NHC)CuEPh3 (E = Si, Ge, Sn); Organometallics
Kinetic and Density Functional Studies on Alkyl-Carbene Elimination from PdII Heterocyclic Carbene Complexes: A New Type of Reductive Elimination with Clear Implications for Catalysis; Journal of the American Chemical Society
The Mechanism of the Stetter Reaction - A DFT Study; European Journal of Organic Chemistry

Research Publications

N-Heterocyclic Carbene Complexes for the Heck Reaction; PacificChem 2000
A Comparison of N2 Cleavage in Schrock's Mo[N3N] and Laplaza-Cummins' Mo[N(R)Ar]3 Systems; Chemistry: A European Journal
A Faculty-Wide Collaborative Approach to Developing and Implementing a Generic Attributes Curriculum; Fifth Annual Teaching Matters Conference
A Mechanistic Investigation of the Gold(III)-Catalyzed Hydrofurylation of C-C Multiple Bonds; Journal of the American Chemical Society
A mechanistic study on the oxidation of hydrazides: application to the tuberculosis drug isoniazid; Chemical Communications
A Molecular Orbital Rationalization of Ligand Effects in N2 Activation; Chemistry: A European Journal
A preliminary study: an evaluation and redevelopment of current first year laboratory practices; International Journal of Innovation in Science and Mathematics Education
A quantitative investigation of the transannular amine-ketone (N...C=O interaction in medium-sized heterocycles; Journal of Molecular Graphics and Modelling
A review of the structure of lignin and it's photochemical degradation
A search for an artificial light source closely resembling the photoreversion responses of thermochemical pulps exposed to sunlight; Appita
A search for an artificial light source which closely resembles the photo-reversion responses of thermomechanical pulps exposed to sunlight
A study of bis-nitrogen chelating ligands used for catalysts; World Assn of Theoretically Oriented Chemists 99
A Study of Bis-Nitrogen Chelating Ligans used for Catalysis; 11th RACI
A theoretical study on the protodeauration step of the gold(I)-catalyzed organic reactions; Organometallics
Achieving C-N bond cleavage in dinuclear metal cyanide complexes; Dalton Transactions
Activation and cleavage of the N-N bond in side-on bound [L2M-NN-ML2] (L = NH2, NMe2, NiPr2, C5H5, C5Me4H) dinitrogen complexes of transition metals from groups 4 through 9; Dalton Transactions
Activation and cleavage of the N-O bond in dinuclear mixed-metal nitrosyl systems and comparative analysis of carbon monoxide, dinitrogen, and nitric oxide activation; Dalton Transactions
Activation of CS2 and CS by ML3 Complexes; Journal of the American Chemical Society
Acyl radical addition to benzene and related systems - a computational study; Tetrahedron
Acyl radical addition to pyridine: multiorbital interactions; Tetrahedron
ALIUS: Active Learning In University Science: Leading Change in Australian Science Teaching; UniServe Science
An Assessment of Theoretical Protocols for Calculation of the pKa Values of the Prototype Imidazolium Cation; Australian Journal of Chemistry
An early diagnosis of Parkinson's disease?; Chemistry in Australia
An Innovative Approach Characterising the Interactions Leading to Pitch Deposition; Journal of Wood Chemistry and Technology
Associative Versus Dissociative Binding of CO to 4d Transistion Metal Trimers: A Density Functional Study; Journal of Computational Chemistry
Atom-Efficient Catalytic Coupling of Imidazolium Salts with Ethylene Involving Ni-NHC Complexes as Intermediates: A Combined Experimental and DFT Study; Organometallics
Authentic learning: a paradigm for increasing student motivation in an era of mass education; Teaching Matters 2010 Conference
Basicity of Nucleophilic Carbenes in Aqueous and Nonaqueous Solvents - Theoretical Predictions; Journal of the American Chemical Society
Being TEQSA Ready: Mapping helps provide the evidence
Breaking Chemistry's Strongest Bond: Can Three-Coordinate [M{N(R)Ar}3] Complexes Cleave Carbon Monoxide; Chemistry-A European Journal
Buckling under Strain: Relief of Steric Pressure Occurs Differently for Samarium(III) Porphyrinogen Complexes of the -bound Auxiliary Ligands Cyclopentadienyl and Cyclooctatetraenediyl; Organometallics
Carbon monoxide migratory insertion; 3rd GM Schwab Symposium; Catalysis for Organic Synthesis
Carbon monoxide migratory insertion - a comparison of cationic and neutral palladium(II) complexes; 9th International Congress of Quantum Chemistry
Carbonylation reactions of palladium catalysts; PacifiChem 95
Cationic methylpalladium(II) complexes containing bidentate N-O ligands as catalysts for the copolymerisation of CO and ethylene. Identification and isolation of intermediates from the stepwise insertion reactions, and subsequent detailed mechanistic interpretation; Journal of the Chemical Society, Dalton Transactions
Chemical kinetics of a bipalladium complex; Journal of Physical Chemistry A
Cleavage of Carbon Dioxide by an Iridium-Supported Fischer Carbene. A DFT Investigation; Journal of the American Chemical Society
Cleavage of CO by Mo[N(R)Ar]3 Complexes; European Journal of Inorganic Chemistry
Competing mechanisms in the carbonylation of neutral palladium(II) complexes containing bidentate ligands: theoretical insights; Chemical Communications
Competing reaction mechanisms for the carbonylation of neutral palladium(II) complexes containing bidentate ligands: a theoretical study; Organometallics
Competing reaction mechanisms involved in palladium catalysed carbonyl insertion; Molecular Quantum Mechanics Conference
Competing rearrangements of ammonium ylides: a quantum theoretical study; Journal of Organic Chemistry
Competing rearrangements of ammonium ylides: a quantum theoretical study; 15NOC, 15th National Organic Division Conference
Computational Chemistry and Spectroscopy; Australian Journal of Chemistry
Computational methods for predicting biological activity; Chemistry in Australia
Computational organic chemistry; Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry
Computational Organic Chemistry; Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry
Computational Organic Chemistry; Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry
Computational Organic Chemistry; Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry
Computational Organic Chemistry; Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry
Computational organometallic chemistry; Chemistry in Australia
Computational Quantum Chemistry Experiments Via the Web; Computional Science - ICCS 2003
Computational study of C(sp3)O bond formation at a PdIV centre; Dalton Transactions
Computational study of carbostannylation implicating bimetallic catalysis involving 'AuI-vinyl-PdII' species; ACS Catalysis
Computational study of intramolecular arene palladation at a palladium(IV) center; Organometallics
Computer study of chemical compounds
Computer-aided drug design for new pharmacological targets in the treatment of obesity; Molecular Graphics and Modelling Society Conference
Connecting binuclear Pd(III) and mononuclear Pd(IV) chemistry by Pd-Pd bond cleavage; Journal of the American Chemical Society
Cu-catalyzed fluorination of diaryliodonium salts with KF; Organic Letters
Dean's Award for Research Excellence
Decarboxylative-coupling of allyl acetate catalyzed by group 10 organometallics, [(phen)M(CH3)]+; The Journal of Organic Chemistry
Density functional theory studies on the oxidation of 5'-dGMP and 5'-dAMP by a platinum(IV) complex; Inorganic Chemistry
Density functional theory study on the mechanism of the reductive cleavage of CO2 by a bis--diketoiminatediiron dinitrogen complex; Inorganic Chemistry
Designing and mapping a generic attributes curriculum for science undergraduate students: a faculty-wide collaborative project; UniServe Science
Developing 'New Look' Metallocenes: The use of -Bound Heterocyclic Anions; CPC2004: Conference of the Royal Australian Chemical Institute Physical Chemistry Division
Developing 'New Look' Metallocenes: The Use of -Bound Heterocyclic Anions; 20th International Conference on Organometallic Chemistry
Developing a scholarly approach to teaching and learning leadership through a Peer Professional Learning Program; 9th annual International Society for the Scholarship of Teaching and Learning Conference: Research on Teaching and Learning: Integrating Practices
Developing leaders of change in the teaching of large university chemistry classes
DFT Studies of Lanthanide Imide Complexes; 2005 Inorganic Chemistry Symposium of the RACI Victorian Branch
DFT Studies on the Carboxylation of the C−H Bond of Heteroarenes by Copper(I) Complexes; Organometallics
DFT Study on the Mechanism of the Activation and Cleavage of CO2 by (NHC)CuEPh3 (E = Si, Ge, Sn); Organometallics
Dimerization mechanisms of heterocyclic carbenes; Journal of Physical Organic Chemistry
Dimethylcuprate undergoes a dyotropic rearrangement; Chemistry: A European Journal
Dinitrogen Activation by Fryzuk's [Nb(P2N2] Complex and Comparison with the Laplaza-Cummins [Mo{N(R)Ar}3] and Schrock [Mo(N3N] Systems; Chemistry: A European Journal
Dinitrogen metal complexes with a strongly activated N-N bond: A computational investigation of [(Cy2N)3Nb-(μ-NN)-Nb(NCy2)3] and related [Nb-(μ-NN)-Nb] systems; Dalton Transactions
Disciplines setting standards: The Sciences Standards Statement as a 'boundary object' for science higher education; HERDSA 2012
Early Diagnosis of Parkinson's Disease - a Realistic Goal?; 11th RACI
Economical treatments of relativistic effects and electron correlation in WH6; Journal of Computational Chemistry
Embedding high impact education practices in 1st year science: a cross-disciplinary cross-institutional partnership; Teaching Matters 2009
Embedding high impact education practices in 1st year science: outcomes and future directions; UniServe Science
ESR study of lignin model compounds irradiated by UV (254nm photons) in the presence of hydrogen peroxide; Holzforschung
Ethylene trimerisation with Cr-PNP catalysts: a theoretical benchmarking study and assessment of catalyst oxidation state; Australian Journal of Chemistry
Experimental and computational study of a reductive elimination mechanism in a methyl-Pd(II)-CNC carbene complex; Chemical Communications
Experimental and theoretical investigation into the gold-catalyzed reactivity of cyclopropenylmethyl acetates; Organic Letters
Explicit incorporation of Solvent Molecules in Polarisable Continuum Calculations; RACI Physical Chemistry Conference
Factors dictating carbene formation at (PNP)Ir; Organometallics
First Year Chemistry Language Support at the University of Tasmania; Sustainable Language Support Practices in Science Education: Technologies and Solutions
Flexible Delivery of Computational and Organic Chemistry; 11th RACI
Formation of ethane from mono-methyl palladium(II) complexes; Journal of the American Chemical Society
Hybrid Stacked/Ladder Organolithium Aggregates: A Structural Hypothesis for Super Base Reactivity; ICCC39: Internatonal Conference on Coordination Chemistry
Hybrid supermolecule-polarizable continuum approach to solvation: application to the mechanism of the Stevens Rearrangement; Journal of Computational Chemistry
In-depth insight into the electronic and steric effects of phosphine ligands on the mechanism of the R-R reductive elimination from (PR3)2PdR2; Journal of Organometallic Chemistry
Increased Stability of NO and NS Heterocyclic Carbenes?; Australian Journal of Chemistry
Influence of geometry on reductive elimination of hydrocarbyl-palladium-carbene complexes; Dalton Transactions
Inhibition of light-induced reversion of thermomechanical pulps using ethylene glycol bisthioglycolate; 49th Appita Annual General Conference
Inhibition of light-induced reversion of thermomechanical pulps using ethylene glycol bisthioglycolate
Inhibition of photo-induced colour reversion of TMP and peroxide-bleached TMP by mercaptans; APPITA Journal
Inhibition of photochemical degradation - studies of model compounds
Insight into the Mechanism of R-R Reductive Elimination from the Six-Coordinate d6 Complexes L2Pt(R)4 (R = vinyl, Me); Organometallics
Integrating doctoral candidates into research teams; Supervising Doctorates
Introducing the 4-Azapentalenyl Anion: a -Bound Heterocyclic Anion with Potential Far Beyond the Cyclopentadienyl Anion!; IC03: Conference of the Royal Australian Chemical Institute Inorganic Division
Introducing the 4-Azapentalenyl Anion: a -Bound Heterocyclic Anion with Potential Far Beyond the Cyclopentadienyl Anion!; OZOM2: 2nd Australian Symposium on Organometallic Chemistry
Investigating CN- cleavage by three-coordinate M[N(R)Ar](3) complexes; Dalton Transactions
Investigating the effect of ethylene glycol bisthioglycolate on the photoreversion of model lignin compounds
Is molecular modelling the future for wet end chemistry?; 60th Appita Annual Conference and Exhibition
Kinetic and Density Functional Studies on Alkyl-Carbene Elimination from PdII Heterocyclic Carbene Complexes: A New Type of Reductive Elimination with Clear Implications for Catalysis; Journal of the American Chemical Society
Lanthanide Complexes of Modified Calix[4]pyrrolides; International Symposium on Homogeneous Catalysis, ISHC-XVI
Lanthanide Imides - A Synthetic Investigation; IC07: Royal Australian Chemical Institute Conference of the Inorganic Division
Lanthanide Imides - A Theoretical Investigation; IC07: Royal Australian Chemical Institute Conference of the Inorganic Division
Lanthanide metal complexes of modified calix[4]pyrrolides; PacifiChem 2005
Lanthanide(II) and -(III) Porphyrinogens - Rational Synthesis and Derivatisation of Mononuclear, Alkali-Metal-Free Lanthanide(II) and -(III) meso-Octaalkylporphyrinogen Complexes; European Journal of Inorganic Chemistry
Large basis set calculations on model palladium systems; RACI Physical Chemistry Conference
Large basis set calculations on model zerovalent palladium systems; Journal of Physical Chemistry
Leading Change in Australian Science Teaching; Chemistry in Australia
Learning and teaching academic standards for science: Where are we now?; Australian Conference on Science and Mathematics Education
Learning Computational Chemistry via the Internet; CAL-laborate
Learning to Lead Change: SaMnet's action-learning projects; Australian Journal of Education in Chemistry
Ligand design for alpha(1) adrenoceptor subtype selective antagonists; Bioorganic & Medicinal Chemistry
Ligand effects in bimetallic high oxidation state palladium systems; Inorganic Chemistry
Ligand rotation in [Ar(R)N](3)M-N-2-M '[N(R)Ar](3) (M, M ' = Mo-III, Nb-III; R = Pr-i and Bu-t) dimers; Dalton Transactions
Ligand substitution: An assessment of the reliability of ab initio calculations; The Journal of Physical Chemistry
Making science relevant: A faculty-wide initiative towards enhancing the student experience through authentic learning activities; Uniserve Science Annual Conference, 2010
Mechanism of Pd-catalyzed Ar-Ar bond formation involving ligand-directed C-H arylation and diaryliodonium oxidants: computational studies of orthopalladation at binuclear Pd(II) centers, oxidation to form binuclear palladium(III) species, and ArAr reductive coupling; Organometallics
Mechanistic investigation of the oxidation of hydrazides: implications for the activation of the TB drug isoniazid; Organic and Biomolecular Chemistry
Mechanistic investigations of Cu-catalyzed fluorination of diaryliodonium salts: elaborating the CuI/CuII manifold in copper catalysis; Organometallics
Mechanistic Studies of Ligand Fluxionality in [Mo(5-Cp)(1-Cp)(L)2]n; The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
Mixing of electronic states in molybdenum complexes involved in nitrogen activation; Chemical Physics
Molecular Modelling and Design of Radiolabelled Complexes for Melanoma Diagnosis; Australian Journal of Chemistry
Molecular orbital study of pulp bleaching reactions: epoxidation of the model chromaphore cinnamaldehyde
Nature of the metal-alkene bond in platinum complexes of strained olefins; Organometallics
Nature of the metal-alkene bond in platinum complexes of strained olefins; World Assn of Theoretically Oriented Chemists 99
nexus: Journal of Undergraduate Science Engineering and Technology; How to Start an Undergraduate Research Journal
Nitrogen Activation via Three-Coordinate Molybdenum Complexes: Comparison of Density Functional Theory Performance with Wave Function Based Methods; Journal of Physical Chemistry A
NO2 bond cleavage by MoL3 complexes; Dalton Transactions
Novel Access to Monovalent Group 13 Metal Complexes: Synthetic and Theoretical Studies of the Thermal Decomposition of Metallocyclopent-3-enes; IC07: Royal Australian Chemical Institute Conference of the Inorganic Division
Novel Access to Monovalent Group 13 Metal Complexes: Synthetic and Theoretical Studies of the Thermal Decomposition of Metallocyclopent-3-enes; OZOM3: 3rd Australian Symposium on Organometallic Chemistry
Novel Access to Monovalent Group 13 Metal Complexes: Synthetic and Theoretical Studies of the Thermal Decomposition of Metallocyclopent-3-enes; 2005 Inorganic Chemistry Symposium of the RACI Victorian Branch
Novel bis-imidazole palladium catalysts. A study of their catalytic activity; Organometallic Chemistry in the South Pacific
Nucleophilic Acyl Substitution of Acyl Diimides; Journal of Organic Chemistry
Olefin strain energies and platinum complexes of highly pyramidalised alkenes; Journal of Organometallic Chemistry
On the selective cleavage of nitrous oxide by metal-amide complexes; Dalton Transactions
On the unprecedented level of dinitrogen activation in the calix[4]arene complex of Nb(III); Dalton Transactions
Optimizing Small Molecule Activation and Cleavage in Three-Coordinate M[N(R)Ar]3 Complexes; Inorganic Chemistry
Organoactinides Promote the Dimerization of Aldehydes: Scope, Kinetics, Thermodynamics, and Calculation Studies; Journal of the American Chemical Society
Outcomes from the ALTC science learning and teaching academic project; HERDSA 2011
Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides ; Dalton Transactions
Oxidation of Lignin model compounds containing an alpha-carbonyl group and a ring-conjugated double-bond by hydrogen peroxide-UV photolysis; Holzforschung
Oxidative addition of 2-substituted azolium salts to Group-10 metal zero complexes-A DFT study; Dalton Transactions
Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study; Journal of the American Chemical Society
Phosphine and solvent effects on oxidative addition of CH3Br to Pd(PR3) and Pd(PR3)2 complexes; Dalton Transactions
Pre-catalyst resting states: a kinetic, thermodynamic and quantum mechanical analyses of [PdCl2(2-oxazoline)2] complexes; Dalton Transactions
Prying open a reactive site for allylic arylation by phosphine-ligated geminally diaurated aryl complexes; Organometallics
Rationalizing the different products in the reaction of N2 with three-coordinate MoL3 complexes; Dalton Transactions
Reaction of H2 with a Binuclear Zirconium Dinitrogen Complex - Evaluation of Theoretical Models and Hybrid Approaches; Journal of Chemical Theory and Computation
Reactivity of CO2 towards Mo[N(R)Ph)3]; Dalton Transactions
Rearrangement Reaction Mechanisms in Heterocyclic Chemistry
Reduction of a chelating bis(NHC) palladium(II) complex to [{mu-bis(NHC)}2Pd2H]<+>+<->: A terminal hydride in a binuclear palladium(I) species formed under catalytically relevant conditions; Angewandte Chemie International Edition
Reduction of Chelating Bis(NHC)Pd(II) Complexes to [{mu-bis(NHC)}2PD2H]+: Novel Pd(I)-Pd(I) Bonded Species with a Terminal Hydride and a Pd(I)-H-Pd(I) Complex Lacking a Pd-Pd Bond; ICCC39: Internatonal Conference on Coordination Chemistry
Reduction of Chelating Bis(NHC)Pd(II) Complexes to [{mu-bis(NHC)}2Pd2H]+: Novel Pd(I)-Pd(I) Bonded Species with a Terminal Hydride and a Pd(I)-H-Pd(I) Complex Lacking a Pd-Pd Bond; OZOM5: 5th Australian Symposium on Organometallic Chemistry
Revisiting the Aufbau Reaction with Acetylene: Further Insights from Experiment and Theory; Organometallics
Rhodium-Catalyzed C-C Coupling Reactions: Mechanistic Considerations; Organometallics
Role of the metal, ligand, and alkyl/aryl group in the hydrolysis reactions of group 10 organometallic cations [(L)M(R)]+; Organometallics
Samarium(II) Pyridine Adducts: A Systematic Investigation of the Steric Effects of Lewis Base Binding; OZOM6: 6th Australian Symposium on Organometallic Chemistry
Scission of Carbon Monoxide Using TaR3, R = (N(tBu)Ph) or OSi(tBu)3: a DFT Investigation; Chemistry: A European Journal
Solution, structural and catalytic studies of neutral MCl2 (M = Pd, Pt) complexes of the N/E mixed-donor ligands 2-(RECH2)C5H4N (RE = MeS, PhS, MeSe); European Journal of Inorganic Chemistry
Structural and Electronic Characterisation of the Organometallic Distonic Ion (benzene)Fe+(para-benzyne); DFT2000
Structural and electronic characterisation of the organometallic distonic ion (C6H6)Fe+(p-C6H4); International Journal of Mass Spectrometry
Structural and Electronic Characterisation of the Organometallic Distonic Ion (C6H6Fe+(p-C6H4; 11th RACI
Structural studies of Group 1 metal 4-azapentalenyl complexes; Dalton Transactions
Structural Studies of Tethered Mixed Anion Lithium Complexes; OZOM6: 6th Australian Symposium on Organometallic Chemistry
Structural Studies of Tethered Mixed-Anion Lithium Complexes; IC07: Royal Australian Chemical Institute Conference of the Inorganic Division
Structure and reactivity of tethered mixed anion lithium complexes: a rational discovery of a new class of superbase; IC08: Royal Australian Chemical Institute Conference of the Inorganic Division
Structure and Reactivity Studies of Tethered Mixed-Anion Lithium Complexes: A Model for Superbase Reactivity Based on a Structural Hypothesis; PacifiChem 2010
Subtle Balance of Ligand Steric Effects in Stille Transmetalation; Journal of the American Chemical Society
Sulfur dioxide activation: a theoretical investigation into dual S=O bond cleavage by three-coordinate molybdenum(III) complexes; Inorganic Chemistry
Synthesis of N-heterocyclic carbene palladium(II) bis-phosphine complexes and their decomposition in the presence of aryl halides; Dalton Transactions
Synthesis, structure and optical limiting properties of organoruthenium-chalcogenide clusters; Journal of Organometallic Chemistry
Synthetic and computational studies of the palladium(IV) system Pd(alkyl)-(aryl)(alkynyl)(bidentate)(triflate) exhibiting selectivity in C-C reductive elimination; Dalton Transactions
The 2010-2011 Learning and Teaching Academic Standards (LTAS) project for Science defined a set of nationally agreed Threshold Learning Outcomes (TLOs) for Australian graduates of bachelor level science degrees; Teaching Matters 2012
The Development of Teaching Skills to Support Active Learning In University Science (ALIUS); Journal of Learning Design
The influence of N-substitution on the reductive elimination behaviour of hydrocarbyl-palladium-carbene complexes-a DFT study; Dalton Transactions
The Influence of Peripheral Ligand Bulk on Nitrogen Activation by Three-Coordinate Molybdenum Complexes-A Theoretical Study Using the ONIOM Method; Journal of Computational Chemistry
The mechanism of ethylene dimerization with the Ti(OR')4/AIR3 catalytic system: DFT studies comparing metallacycle and Cossee proposals; ACS Catalysis
The Mechanism of the Stetter Reaction - A DFT Study; European Journal of Organic Chemistry
The platinum-ethylene binding energy in Pt(PL3)2(C2H4); Journal of Molecular Structure (Theochem)
The structure of a methylpalladium(II) complex of pyridine-2-carboxylato(N-O) and triphenylphosphine (PPh3), [Pd(CH3)(N O)(PPh3)]; Australian Journal of Chemistry
The Transannular N---C=O Interaction in Medium-sized Heterocycles; Structural and Mechanistic Organic Chemistry
The use of molecular modelling in studying pitch deposition; Appita Journal
Theoretical approaches to estimating homolytic bond dissociation energies of organocopper and organosilver compounds; Journal of Physical Chemistry A
Theoretical evaluation of alternative pathways in the Stevens rearrangement; Australian Journal of Chemistry
Theoretical investigation into the mechanism of 3'-dGMP oxidation by [PtIVCl4(dach)]; Inorganic Chemistry
Theoretical investigation into the mechanism of Au(I)-catalyzed reaction of alcohols with 1,5 enynes; Journal of the American Chemical Society
Theoretical investigation into the mechanism of ethylene polymerization by a cationic dinuclear aluminum complex: a longstanding unresolved issue; Organometallics
Theoretical investigation into the mechanism of reductive elimination from bimetallic palladium complexes; Inorganic Chemistry
Theoretical investigation into the palladium-catalyzed silaboration of pyridines; Organometallics
Theoretical modelling of carbonylation reactions: cationic versus neutral palladium-alkyl complexes; XVIIth International Conference on Organometallic Chemistry
Theoretical studies of lanthanide imides stabilised by modified calix[4]pyrrolides; OZOM3: 3rd Australian Symposium on Organometallic Chemistry
Theoretical studies of the oxidative addition of azolium salts to a model Wilkinson's catalyst; Dalton Transactions
Theoretical study of methyl-Pd-II N-heterocyclic silylene and germylene complexes: Comparisons to N-heterocyclic carbene reactivity; Organometallics
Theoretical study of the mechanism for the sequential NO and NN bond cleavage within N2O adducts of N-heterocyclic carbenes by a vanadium(III) complex; Dalton Transactions
Theoretical study of the mechanism of CO and acetylene migratory insertions into Pt-Cp* bonds; Organometallics
Threshold learning outcomes for science graduates: A progress report on the learning and teaching academic standards project; 16th UniServe Science Annual Conference, 2010
Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes; Organic & Biomolecular Chemistry
Trans-dioxaporphyrinogen Stabilised Lanthanide Imides; OZOM3: 3rd Australian Symposium on Organometallic Chemistry
Trans-dioxaporphyrinogen stabilised lanthanide imides; 2005 Inorganic Chemistry Symposium of the RACI Victorian Branch
Tuning the Laplaza-Cummins 3-coordinate M[N(R)Ph]3 catalyst to activate and cleave CO2; Dalton Transactions
Two Spin-State Reactivity in the Activation and Cleavage of CO2 by [ReO2]-; Journal of Physical Chemistry Letters
Understanding the mechanism of CuI-catalyzed N-H carboxylation of heterocyclic rings with CO2 from a theoretical point of view; Journal of Organometallic Chemistry
Unprecedented C-H bond oxidative addition of the imidazolium cation to Pt-0: a combined density functional analysis and experimental study; Chemical Communications
Unsolvated Samarium Complexes; OZOM2: 2nd Australian Symposium on Organometallic Chemistry
Zirconium Catalysts for Nitrogen Fixation - How Good is the Model? (December); MM2000
Zirconium Catalysts for Nitrogen Fixation - How Good is the Model? (June); Xth ICQC

Research Projects

2012: International Congress of Quantum Chemistry 2012; University of Tasmania (UTAS)
Activation and Scission of Small Molecules using Three-Coordinate Metal Complexes; Australian Research Council (ARC)
APAC Partnership Agreement -Tasmanian Partnership in Advanced Computing (TPAC) Centre for Expertise and Education Program (continuation); National Computational Infrastructure (NCI)
Binuclear higher oxidation state palladium and platinum species in organometallic and organic synthesis reaction mechanisms; University of Tasmania (UTAS)
Binuclear Palladium Motifs in Synthetic Transformations; Australian Research Council (ARC)
Calculations on Technetium Ligands for the Dopamine Transporter; Australian Institute of Nuclear Science & Engineering (AINSE)
Can Acidity of Biological Compounds be Accurately and Rapidly Predicted?; University of Tasmania (UTAS)
Colloid interactions and extraction in sustainable, water efficient paper manufacture; Australian Research Council (ARC)
Computer modelling and catalyst design in carbonylation reactions involving palladium; Australian Research Council (ARC)
Computer modelling and the design and development of catalyst systems; Australian Institute of Nuclear Science & Engineering (AINSE)
Computer modelling and the design of catalysts for carbonylation reactions involving palladium and platinum complexes.; Australian Research Council (ARC)
Computer modelling of catalysts for copolymerisation of carbon monoxide and ethene; Australian Research Council (ARC)
Computer modelling of solvation effects on chemical reactions; Australian Institute of Nuclear Science & Engineering (AINSE)
Computer-assisted control of reactions in organic chemistry; Australian Research Council (ARC)
Computer-assisted design of new heterocyclic compounds as potential medicinal & pharmacological agents; University of Tasmania (UTAS)
Design of Radiopharmaceuticals for the Diagnosis of Melanoms; University of Tasmania (UTAS)
Design of radiopharmaceuticals for the early detection of Parkinson's disease; Australian Research Council (ARC)
Design of Radiopharmaceuticals for the Early Diagnosis of Parkinson's Disease; Australian Research Council (ARC)
Fluorination of aromatic compounds; Australian Institute of Nuclear Science & Engineering (AINSE)
High Performance Computing for Mathematics, Chemistry, Engineering and Climate Research; Australian Research Council (ARC)
Metal Complexes for Activation and Scission of Small, Multiply-Bonded Molecules; Australian Research Council (ARC)
Metal complexes for activation and scission of small, multiply-bonded molecules; Australian Research Council (ARC)
Metal Complexes for Activation and Scission of Small, Multiply-Bonded Molecules; Australian Research Council (ARC)
Modelling of ligands for benzodiazepine receptor subtype selectivity; Australian Institute of Nuclear Science & Engineering (AINSE)
Modelling of Ligands for Dopamine Transporters; Australian Institute of Nuclear Science & Engineering (AINSE)
Modelling of Ligands for Dopamine Transporters.; Australian Institute of Nuclear Science & Engineering (AINSE)
Modelling of Radiopharmaceuticals for Tumour Diagnosis and Therapy; Australian Institute of Nuclear Science & Engineering (AINSE)
New Look N-Heterocyclic Metallocenes of the Lanthanides Based on 4-Azapentalenyl Anions; Australian Research Council (ARC)
Novel Metal Carbene Complexes as Catalysts for the Formation of Specialty Chemicals; Australian Research Council (ARC)
Nucleophilic Carbenes as Organocatalysts for Asymmetric Synthesis; Australian Research Council (ARC)
Physical properties of bleached mechanical pulps; Australian Research Council (ARC)
Predicting binding constants in metal-ligand interactions; Australian Institute of Nuclear Science & Engineering (AINSE)
Reduced Water Usage in the Australian Pulp and Paper Industry Through Novel Process Chemistry; Australian Research Council (ARC)
Special Travel Grant; Australian Institute of Nuclear Science & Engineering (AINSE)
Structure-activity studies and the design of biologically active compounds; University of Tasmania (UTAS)
Study of Molecular Interactions Between Wood Pitch Fixatives and Components of Wood Pitch; Australian Research Council (ARC)
Tasmanian Partnership in Advanced Computing (TPAC) Centre for Expertise and Education Program; National Computational Infrastructure (NCI)
The Development and Evaluation of Theoretical Molecular Models for the Binding of 5-HT3 and Adrenergic Drugs in the Brain; Australian Research Council (ARC)
The development of new techniques for studying excited state reactions; Department of Industry, Tourism & Resources (DITR)
Theoretical investigation of reaction mechanisms in synthetic and atmospheric organic chemistry; Australian Research Council (ARC)
Theoretical studies of competing reactions in organic chemistry; University of Tasmania (UTAS)
Theoretical studies of homogeneous catalysis; Department of Industry, Tourism & Resources (DITR)
Theoretical studies on the mechanism of the Stevens rearrangement and related reactions; Australian National University (ANU)
Why are Carbene-based Catalysts so good and how can we make them better?; University of Tasmania (UTAS)
Designing Better Catalysts

Research Candidate Supervision

A Study of the Physical Chemistry of Acyl Radicals - Formation and Reactions
A Study of Wood Resin and Cationic Water Soluble Polymers- Wood Pitch Fixatives
A theoretical investigation of organic rearrangements
Advanced f Element Chemistry- Fundamental Low Valency Studies and Applications of Novel Reduction Chemistry
An Evaluation and Redevelopment of Current Laboratory Practices- An in Depth Study into the Differences Between Learning and Teaching Styles.
Chelated di-nitrogen complexes. Theoretical and catalytic aspects.
Computer modelling and the design and development of catalyst systems
Fundamental studies on the co-reaction of CO with unsaturated hydrocarbons.
Hydrogen peroxide delignifications and brightening of kraft Eucalyptus pulp with ultraviolet radiation
Mixed Anion Lithium Complexes - Models for Superbases
N-Heterocyclic Metallocenes of the Lanthanides Based on the 4-azapentalenyl anion
New Synthetic Approaches to Indolizidine and Pyrrolidine Alkaloids
Processes in alkaline bleaching of pinus radiata TMP
Regioselective Modification of Pyrroles - Applications Towards Lamellarins & Pyrrolidine Analogues
Scission of Small Multiply Bonded Molecules using Transition Metal Complexes. A DFT Study.
Steric and Electronic Investigations into Samarium (II) Dinitrogen, Heteroalkyne and Heterocycle Reductions
Studies on the Synthesis of Biologically Active, Small Molecule Natural Products
Synthetic and Theoretical Studies of Lanthanide Imide and Alkene Complexes
The Influence of Heteroatom Substitution on Heterocyclic Carbenes and their Complexes
The Role of Metal Catalysts in the Breakdown of Greenhouse Gases
The Synthesis and Decomoposition Behaviour of Methylpalladium(II) N-Heterocyclic Carbene Complexes
The use of mercaptans for inhibiting the photo-induced reversioin of lignin-rich pulps and papers
Title- Theory of Molecular Auger Spectroscopy