Talks and Posters

Talks | Posters

Selected (invited) talks

2024 |2023 | 2022 | 2021 | 2019 | 2016 | 2015 | 2014 | 2012 | 2011 | 2010 | 2009 | 2008 | 2007 | 2006 | 2005 | 1998

1998:

Talk 1 Formation of Zirconocene Cations and Dications
Inorganic Chemistry Laboratory, Oxford, UK, 1998

Talk 2 Formation of Zwitterionic-Cationic Halfsandwich Zirconium Complexes
Inorganic Chemistry Laboratory, Oxford, UK, 1998

(top)

2005:

Talk 3 Polymers for (Opto)electronic applications
7th Austrian Polymer Meeting, Graz, Austria, 2005

Talk 4 NMR and Computational Studies of phenylsilyl substituted cationic and dicationic Zirconocene Compounds
University of Bonn, Germany, 2005

(top)

2006:

Talk 5 Models for Solvent Adducts in Ziegler Polymerisation
Frühjahrssymposium Konstanz, Germany, 2006
slides

Talk 6 NMR and DFT investigations of cationic zirconocene benzyl compounds
8th Austrian Polymer Meeting 2006, Linz, Austria, 2006

Talk 7 NMR und DFT Untersuchungen von phenyl substituierten Zirkonocene Verbindungen
Freie Universität Berlin, Germany, 2006

(top)

2007:

Talk 8 NMR and DFT investigations of aryl substituted group IV metallocenes
University of Groningen, Netherlands, 2007

Talk 9 Recent results of arylstabilised cationic group IV metallocenes
University of Oxford, UK, 2007

(top)

2008:

Talk 10 DFT and NMR Investigation of Cationic Zirconocene Compounds with appended Phenyl-Group
'Organometallics at the Centre', Cancun, Mexiko, 2008

Talk 11 NMR and DFT Investigations of cationic group 4 metallocene compounds with appened Phenyl group
'International Conference on Organometallic Chemistry 2008', Rennes, France, 2008

2009:

Talk 12 From Spectroscopy of organometallic Complexes to DFT Calculations and back
University of Southampton, UK, 2009

(top)

2010:

Talk 13 New Stories from an old Fellow: The case of a Cr-dimer complex
'Scotchem 2010' University of Strathclyde, Glasgow, 2010

Talk 14 New Stories from an old Fellow: The case of a Cr-dimer complex
'International Conference on Organometallic Chemistry 2010', Taipei, Taiwan, 2010

Talk 15 Von der Spektroskopie über Molecular Modelling und zurück: Die Anwendung von beiden Techniken zur Identifizierung von reaktiven Zwischenprodukten in der homogenen Katalyse
'Habilitationsvortrag', Technische Universität Graz, Graz, Austria, 2010

(top)

2011:

Talk 16 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
Universität Marburg, Marburg, Germany, 2011

Talk 17 Model compounds for anionic ethene polymerisation
'EICC-1: First EuCheMS Inorganid Conference', Manchester, UK, 2011

Talk 18 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
University College London, London, UK, 2011

(top)

2012:

Talk 19 Model compounds for anionic ethene polymerisation
'International Conference on Organometallic Chemistry 2012', Lisbon, Portugal, 2012

(top)

2014:

Talk 20 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
University of Augsburg, Augsburg, Germany, 2014

Talk 21 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
KNUST, Kumasi, Ghana, 2014

(top)

2015:

Talk 22 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
University of Utrecht, Utrecht, The Netherlands, 2015

Talk 23 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
University of Vienna, Vienna, Austria, 2015

Talk 24 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
Ludwig-Maximilian University, Munich, Germany, 2015

(top)

2016:

Talk 25 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
University of Botswana, Botswana, 2016

Talk 26 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
University of Sydney, Sydney, Australia, 2016

Talk 27 Converting propene into petrol at ambient temperature and pressure: How does it work?
'International Conference on Organometallic Chemistry 2016', Melbourne, Australia, 2016

Talk 28 Converting propene into petrol and chewing gum at ambient temperature and pressure: How does it work?
KNUST, Kumasi, Ghana, 2016

Talk 29 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
University of Sydney, Sydney, Australia, 2016

(top)

2019:

Talk 30 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
Free University of Berlin, Berlin, Germany, 2019

(top)

2021:

Talk 31 Easy-Build Singularity Containers
EasyBuild User Meeting, online, 2021

Talk 32 Ru-H bond activation by means of x-ray radiation
European Conference on Organometallic Chemistry (online), Alcal√° de Henares, Spain, 2021

(top)

2022:

Talk 33 Semi-automated workflow for adding software to EESSI
EasyBuild User Meeting, online, 2022

Talk 34 Ru-H bond activation by means of x-ray radiation
University of Leicester, Leicester, UK, 2022

Talk 35 Ru-H bond activation by means of x-ray radiation
International Charge Density meeting , Aarhus, DK, 2022

Talk 36 Ru-H bond activation by means of x-ray radiation
'International Conference on Organometallic Chemistry 2022', Prague, Czech Republic, 2022

(top)

2023:

Talk 37 Scientific Reproducibility: The importance of reliable and sustainable software installation.
Computational Science Centre for Research Communities (CoSeC) , Manchester, UK, 2023
Video
Slides


2024:

Talk 38 Byte-sized RSE events: Introduction to EasyBuild
Byte-sized RSE , London, UK, 2024
Slides
Asciinema files
YouTube Video
Podcast

Talk 39 From DFT to spectroscopy and back:
The use of both techniques to unearth active compounds in homogeneous catalysis

University of Uppsala, Sweden, 2024

Talk 40 EasyBob, the friendly software installation bot YouTube PDF
EUM24 Umeå, Sweden 2024

(top)

Selected Poster Presentations

Poster 1 Propene Polymerisation with Cp*TiMe3/B(C6F5)3: A "quasi - living" System?
The Macro Group UK: 'Recent Advances in the Polymer Synthesis', University of York, UK, 1996

Poster 2 Cationic Group 4 Half Sandwich Complexes with Intramolecular Phenyl Coordination
The Marco Group UK: Spring Meeting 1997 for Younger Researchers, University of Leeds, UK 1997

Poster 3 Evidence for Cationic Group 4 Zirconocene Complexes with Intramolecular Phenyl Co-ordination
The XVIIIth International Conference on Organometallic Chemistry, Munich, Germany, 1998

Poster 4 Dicationic and Zwitterionic-Cationic Zirconium Complexes
Meeting at the University of Münster, Germany, 1999

Poster 5 Dicationic and Zwitterionic-Cationic Zirconium Complexes
AGICHEM 2002, 6th International Conference on Inorganic Chemistry Munich, Germany, 2002

Poster 6 Cp*TiMe3 and C5H(5-n)(SiMe3)nTiMe3 (n=1-3) as propene polymerisation catalysts: A comparison
ISHC-14, 14th International Symposium on Homogeneous Catalysis, Munich, Germany, 2004

Poster 7 A DFT Study of CpCp(XH2Ph)ZrCl Cations (X = C, Si)
Darmstädter Molecular Modelling Workshop, Erlangen, Germany, 2005

Poster 8 NMR and DFT studies of phenyl substituted cationic and dicationic zirconocene compounds
XVI. FECHEM Conference on Organometallic Chemistry, Budapest, Hungary, 2005

Poster 9 NMR and DFT studies of [CpC5H4(SiMe2Ph)ZrMe]+ and [CpC5H4(SiH2Ph)ZrCl]+
Pacifichem 2005, Hawaii, USA, 2005

Poster 10 NMR and DFT Investigations of cationic Zirconocene-Benzyl Compounds
International Conference of Organometallic Chemistry 2006, Zaragoza, Spain, 2006

Poster 11 NMR and DFT Investigations of cationic Zirconocene-Benzyl Compounds
1st European Chemistry Congress, Budapest, Hungary, 2006

Poster 12 DFT and NMR Investigations of Cationic Zirconocene Compounds with Appended Phenyl Groups
Twelfth International Conference on the Application of Density Functional Theory, Amsterdam, Netherlands, 2007

Poster 13 Detailed DFT Study of 'quasi living' Propene Polymerisation
Symposium für Theoretische Chemie, Ramsau, Austria, 2008

Poster 14 Detailed DFT Study of 'quasi living' Propene Polymerisation
SymPOC 2009, Glasgow, UK, 2009

Poster 15 From DFT to spectroscopy and back: The use of both techniques to unearth active compounds in homogeneous catalysis
ScotCHEM 2009, Edinburgh, UK, 2009

Poster 16 Revisiting the Cossee Mechanism: How free is the 'free' coordination site?
IUPAC 2009, Glasgow, UK, 2009

Poster 17 New Stories from an old Fellow: The case of a Cr-dimer complex
'Symposium of Physical Orangic Chemistry (SYMPOC) 2010' University of Bristol, Bristol, 2010

Poster 18 DFT calculations of a multi-metallic complex with a planar Cu4OH motif.
'International Conference on Organometallic Chemistry 2010', Taipei, Taiwan, 2010

Poster 19 Detailed DFT investigations of titanium amido based olefin catalysts.
'International Conference on Organometallic Chemistry 2012', Lisbon, Portugal, 2012

Poster 20 Isobutene Polymerisation with [Cp2Al]+: Is DFT failing here?
DFT 2013, Durham, UK

Poster 21 Detailed computational studies of the unusual water adduct [Cp2TiMe(OH2)]+: The role of the solvent and the counterion.
NSCCS user meeting 2013, London, UK

Poster 22 + 23 Detailed computational studies of the unusual water adduct [Cp2TiMe(OH2)]+: The role of the solvent and the counterion.
Propene Oligomerisation at Ambient Temperature with [(C5H5)(C5H4SiMe2C6H4Me)ZrMe2]
'International Conference on Organometallic Chemistry 2014', Sapporo, Japan

Poster 24 Propene Oligomerisation at ambient Temperature and Pressure: How does it work?
NSCCS user meeting 2015, London, UK

Poster 25 + 26 Can we replace the Ru in [LRu(H2)2(H)] compounds with Fe? A detailed DFT study
How to make chewing gum at -60 C: The versatile chemistry of zirconocene dications
'International Conference on Organometallic Chemistry 2018', Florence, Italy

Poster 27 Combined high resolution x-ray and DFT Bader analysis to reveal a proposed Ru-H . . . Si interaction in Cp(IPr)Ru(H)2SiH(Ph)Me
Tools for Chemical Bonding workshop 2019, Bremen, Germany

Poster 28 Pentavalent or -coordinated: Detailed dft investigation of a Ti-Al-C compound
'International Conference on Organometallic Chemistry 2022', Prague, Czech Republic, 2022

(top)