Scientific Programme

Sunday 2 September 2012
15:00 - 18:00	Registration at Nombolo Mdhluli conference centre
19:00 - 22:00	Welcoming function - Boma
Monday 3 September 2012
06:00 - 07:30	Sightseeing in the Park
07:30 - 08:30	Breakfast
Session 1 Chairperson: Len Barbour
08:30 - 08:40	Welcome
08:40 - 09:15	Jonathan Steed University of Durham, UK Supramolecular Gels: Responsive Soft Materials
09:15 - 09:50	Heinrich Dirr University of the Witwatersrand, South Africa Dynamic and Functional Insights from Protein Structures
09:50 - 10:10	Dyanne Cruickshank University of Cape Town, South Africa The Inclusion of Agrochemicals in Cyclodextrins
10:10 - 10:45	Coffee/Tea
Session 2 Chairperson: Dave Billing
10:45 - 11:20	Claude Lecomte University de Lorraine, France High Resolution Crystallography Applied to Molecular Magnetic Materials: From the Structure to the Charge and Spin Densities
11:20 - 11:55	Andreas Roodt University of the Free State, South Africa Probing Structure/ Reactivity Relationships in Small Molecules
11:55 - 12:15	Kinga Suwinska Cardinal Stefan Wyszynski University, Poland Inclusion Complexes and Co-crystals of Calixarenes with Drug Molecules
12:15 - 12:35	Andreas Lemmerer University of the Witwatersrand, South Africa Covalent Assistance to Supramolecular Synthesis: The Use of Hydrogen Bonding Modifying Groups to Control the Assembly of Co-Crystals
12:35 - 14:00	Lunch
14:00 - 18:00	Sightseeing in the Park
18:00 - 19:30	Poster Session with drinks and snacks
19:30 - 21:00	Dinner
Tuesday 4 September 2012
06:00 - 07:30	Sightseeing in the Park
07:30 - 08:30	Breakfast
Session 3 Chairperson: Peter Comba
08:30 - 09:05	Shridhar Gadre IIT Kanpur, India Structures and Properties of Large Molecular Clusters via Electrostatic Insights and Tailoring approach
09:05 - 09:40	Stefan Grimme University of Bonn, Germany Dispersion Corrected Density Functionals for the Thermochemical Properties of Large Molecules
09:40 - 10:00	Ruaraidh McIntosh Heriot-Watt University, UK Calixarene-Supported Metal Clusters
10:00 - 10.20	Petra-Alexandra Bombicz Hungarian Academy of Science, Hungary Tailor Made Calixarenes
10:20 - 11:00	Coffee/Tea
Session 4 Chairperson: Lee Brammer
11:00 - 11:35	Roger Alberto University of Zurich, Switzerland Recognizing the Right Receptor by Metal Complex Structure 3D Space Occupation
11:35 - 12:10	Peter Comba University of Heidelberg, Germany Phosphatase Models and New Possible Roles for the Cyclic Peptides of the Ascidians
12:10 - 12:30	Vincent Smith University of Stellenbosch, South Africa Unusual Arrangements of Carbon Dioxide Molecules in Three Stable Isotypic Metal-Organic Frameworks (MOFs)
12:30 - 12:50	Harshita Kumari University of Missouri, USA Solution Structures: A Reverse Pathway towards Understanding Solid-state Behavior
12:50 - 14:00	Lunch
14:00 - 18:00	Sightseeing in the Park
18:30 - 19:30	Dinner
Session 5 Jan Boeyens Award Session Chairperson: Andreas Roodt
20:00 - 20:35	Jan Boeyens University of Pretoria, South Africa The Mystery of Molecular Structure
20:35 - 20:45	Jan Boeyens Award
20:45 - 21:20	Manuel Fernandes University of the Witwatersrand, South Africa Solid-state Diels-Alder Reactions as a Means towards Novel Crystal Structures
Wednesday 5 September 2012
06:00 - 07:30	Sightseeing in the Park
07:30 - 08:30	Breakfast
Session 6 Chairperson: Catharine Esterhuysen
08:30 - 09:05	Kallol Ray Humboldt University of Berlin, Germany O-O Bond Breaking and Formation Reactions Mediated by Hexanuclear Transition Metal Complexes
09:05 - 09:40	Takahiko Kojima University of Tsukuba, Japan A Chemistry of Ruthenium Tripyridylamine Complexes
09:40 - 10:00	Susan Bourne University of Cape Town, South Africa Thermo- and Solvatochromic Metal-organic Frameworks
10:00 - 10:20	Prashant Bhatt University of Stellenbosch, South Africa Creation of New Space Under Gas Pressure in the Flexible Porous Metal Organic Framework: A Structure-Property-Energy Relationship
10:20 - 10:50	Coffee/Tea
Session 7 Chairperson: Karl Törnroos
10:50 - 11.25	Graeme Day University of Cambridge, UK Insights from structural landscapes
11:25 - 12:00	Scott Dalgarno Heriot-Watt University, UK p-Carboxylatocalix[n]arenes: Controlled Self- and Metal-Directed Assembly
12:00 - 12:20	Dave Billing University of the Witwatersrand, South Africa Structure and optical properties of natural low dimensional semiconductors
12:20 - 12:40	Gyula Faigel Wigner Research Center for Physics, Hungary Single Molecule imaging by XFEL-s
12:40 - 12:50	Group Photograph
12:50 - 14:00	Lunch
14:00 - 18:00	Sightseeing in the Park
19:30 - 21:00	Dinner
Thursday 6 September 2012
06:00 - 07:30	Sightseeing in the Park
07:30 - 08:30	Breakfast
Session 8 Chairperson: Christer Aakeröy
08:30 - 09:05	Tim Clark University of Erlangen-Nürnberg From molecules to devices: modeling soft electronics
09:05 - 09:40	Lee Brammer University of Sheffield In situ diffraction studies: synthesis, reactions and properties of metal-organic frameworks (MOFs)
09:40 - 10:00	Ignas Tonle Kenfack University of Dschang Synthesis and characterization of sepiolite-based organoclays: application in the determination of traces of heavy metals by differential pulse voltammetry
10:00 - 10.20	Augusto Machatine University of Pretoria Brillouin scattering in crystals determined by Clebsch-Gordan coefficients
10:20 - 11:00	Coffee/Tea
Session 9 Chairperson: Delia Haynes
11:00 - 11:35	Alessia Bacchi University of Parma, Italy From Local Control to Collective Response: Fabrication of Crystalline Materials with Dynamic Porosity
11:35 - 12:10	Jeremy Rawson University of Windsor, UK Molecular Tailoring of Organic Spin Transition Materials
12:10 - 12:30	Mpho Lekgoathi NECSA Pretoria, South Africa Solid State Vibrational Spectroscopy of Anhydrous Lithium Hexafluorophosphate (LiPF6)
12:30 - 12:50	Ts’enolo Lerotholi University of the Witwatersrand, South Africa Surface Crystallography by Low Energy Electron Diffraction: The Structure and Reactivity of NO and O Co-adsorbed on Iridium
12:50 - 14:00	Lunch
Session 10 Chairperson: Jonathan Steed
14:00 - 14:35	Mohamed Eddaoudi King Abdullah University, Kingdom of Saudi Arabia Metal-Organic Materials: Strategies toward Functional Nanoporous Materials
14:35 - 15:10	Deliang Long University of Glasgow, UK Insights from Molecular Metal Oxides
15:10 - 15.45	Christer Aakeröy Kansas State University, USA Constructing functional materials using molecular sense and supramolecular sensibility
15:45-16:15	Closing Ceremony
17:00	Farewell function
Friday 7 September 2012
07:00 - 08:30	Breakfast
08:30	Vehicles leave for OR Tambo and Kruger Mpumalanga Airports