Australian National UniversityQuantum Chemistry at ANU

Computational Chemistry Group Meetings

Date Speaker Caterer Title
29 DecNew Year
22 DecChristmas
15 DecMickPeterTalking
08 DecPeterDavidsThe Thomson problem
01 DecDavidsRichmondBethe ansatz approach to quasi-exact solvability
24 NovRichmondDavidRussell's mechanistic conundrum
17 NovDavidJiaComposite Methods in NMR
10 NovJiaElaafTheory and applications of the MP2(V) method
03 NovElaafLeesaMechanistic implications of the F420H2 protonation state in the holoenzyme
27 OctLeesaBenTurning the 'switch' - Experimental proof of nitroxide switching in solution
20 OctCHEM 3060 seminars
13 OctBenStephenRadical polymerization of methacrylic acid salts
06 OctLabour Day
29 SepFamily & Community Day
22 SepStephenTitouHow to compute rates under difficult circumstances
15 SepTitouAnyaNodes
08 SepAnyaCharlotteA recap, a highlight and a goodbye
01 SepCharlottePeterCalculating non-equilibrium exponential averages
25 AugPeterNaomiThe future of quantum chemistry
18 AugNaomiJianCan molecular dynamics reveal the active conformation of insulin?
11 AugJianLauraThe non-uniqueness of algebraic 1-matrix functionals
04 AugLaura (1 pm)Roger(end-of-term) Ramping it up!
28 JulRogerTamaraExcited states of spiropyranes
21 JulTamara (12 noon)Peter(end-of-term) Molecular basis of catalysis in L. Cuprina
14 JulPeterMickDelocalization and failures of the LYP functional
07 JulMickAndrewSome general thoughts about molecular fragmentation
30 JunAndrewRikaStuff in the UFF
23 JunRikaRichardAssignment of the Q-bands of the chlorophylls
16 JunRichard and AnyaRichmondThe fate of peroxyl radical - A key to autooxidation?
09 JunQueen's Birthday
02 JunRichmond (1 pm)GiuseppeMechanistic insights into molecular degradation by oxygen oxidants
26 MayGiuseppeAravindhanSingle-determinant theory for excited states. An application to the H2 molecule
19 MayAravindhanCalebDecoding the electronic structures of phenolic antioxidants in gas phase
12 MayCalebTerry(mid-term) Developing and testing a generalised Local Density Approximation
05 MayTerryLauraWhat is the Born-Oppenheimer approximation?
28 AprLauraElaafAll about basis sets
21 AprEaster Monday
14 AprElaafDavidThe catalytic mechanism of PA-824 activation by DDN
07 AprDavidTamaraLong-range corrections in NMR shielding calculations
31 MarTamaraTitouStudying enzymes with computational chemistry methods
24 MarTitouAnyaChemistry in 1D
17 MarAnyaStephenElectric fields - a key to enzyme catalysis?
10 MarCanberra Day
03 MarStephenRichmondCould the glass transition be a second-order thermodynamic phase transition?
24 FebRichmondEdieO2 and cholesterol: protagonists to disease plaques?
17 FebRavi JagadeeshanAndrew GConcentration dependent dynamics of semi-dilute DNA solutions
10 FebAndrew GCharlotteIntrinsic atomic orbitals
03 FebCharlotteBenThe instantaneous fluctuation theorem
27 JanAustralia Day
20 JanRichard/BenDenisThe road to stereocontrol is paved with good ideas
13 JanDenisLauraDissipation and the foundations of statistical thermodynamics
06 JanNo group meeting