Australian National UniversityQuantum Chemistry at ANU

Computational Chemistry Group Meetings

Date Speaker Caterer Title
31 DecNew Year's Eve
24 DecChristmas Eve
17 DecBenWernerStereocontrol of acrylates via Lewis acid complexation
10 DecWernerJinasenaQuantum fortune telling - How to predict where things happen before they do
04 DecRSC Director Presentations
26 NovJinasenaPeterMetal-Metal interactions in transition metal halogeno complexes
19 NovCancelled
12 NovJunmingPeterOrigami and Chemistry
05 NovPeterCalebCharged spheres
29 OctStudent talksIsaCaleb (Honours practice), Richard (ASC) and Malcolm (ASC)
22 OctIsaRabinReshuffling mechanism of dithiocarbonate dimers for self-healing of polymers
15 OctRabinDavidFe-Porphyrin derivatives as electrocatalysts in polymer electrolyte fuel cells
08 OctFamily and Community Day
01 OctLabour Day
24 Sep(Tues) DavidTamaraCalculating chemical shifts through fragmentation
18 SepTamaraNoneMid-term review
10 SepMolecular Electronic Structure (Troy, Turkey)
03 SepDepartmental seminar (Christchurch, NZ)
27 AugJonathanJunmingElectronic excited states of dipeptides
20 AugACS National Meeting (Philadelphia, USA)
14 AugTiffanyRikaReplica Exchange Molecular Dynamics: a tool for sampling of biomolecules
06 AugLeesaLeesaPulsed laser polymerization
30 JulyYihanTitouExcited states of firefly luciferin through the Q-Chem/Charmm interface
23 JulyTitouPengCorrelation functional for 1D systems
16 JulyPengAndrewQuantum mechanical tunnelling in enzyme catalysis
09 JulyAndrewTerryRemote control with IQmol
02 JulyTerryLauraACCSA vs QCT
25 JunLauraNoneMid-term review
18 JunJoshBenThe pairwise additivity of dispersion
12 JunBenMichelleRadical polymerization
04 JunMichelleJunmingThere is more to computational chemistry than calculating helium to 20 places
28 MayJunmingWernerMechanistic studies of some unusual organic reactions
22 MayWernerRajaPropagation without equations of motion
14 MayRajaPeterIs TD-DFT a system-dependent theory?
07 MayPeterTitouMixed basis sets
30 AprTitouLeafDMC: my very own recipe (à la française!)
23 AprLeafTamaraWhat you might not know about Diels-Alder reactions
16 AprCaleb & TamaraJoshHonours talk & Computational studies of enzyme kinetics
09 AprEaster
02 AprIsaAnyaStereoregulation in free-radical polymerization of bulky methacrylates
27 MarJoshIsaChemistry lessons from intracules
20 MarAnyaAndrewIncredible nitroxides: from theory to applications
12 MarCanberra Day
05 MarAngus & AndrewMichelleASC talk & From witches to geckos
27 FebAmir KartonPeterThe golden age of computational thermochemistry: Theory and applications
20 FebPeterTerryThe importance of the underlying LDA in DFT calculations
14 FebTerryLauraTranslational symmetry in the gas-surface PES
07 FebLauraPeterGaussian expansions of orbitals
31 JanKaewWernerParallel RO Fockbuild in X10
23 JanHoliday
16 JanQ-Chem workshop (Pittsburgh, USA)
09 JanWernerTitouRandom Thoughts about Quantum Systems
02 JanNew Year