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Site Name
UWA Theoretical Chemistry
Page Name
Publications Page ID: 47721  
Short Page NamePublications
Description
Keywords quot jayatilaka chem 2002 phys chandler clare 2003 grimwood 2001 kepert densities acta jan initio figgis lett wavefunctions cryst bytheway electron density mol derived 1997 experiment functions 2000 1998 1996 struc theochem comparison 1995 1994 sep structure molecules wolff oct theoretical calculation structures functional factors stabilities qsar aug cocl spin 1993 study 2004 a58 cassam-chena june symmetry theor diffraction descriptors analysis acc 589 nov third flux orbital isomerism am1 partitioning hamiltonian experimental problems application crystal addition aust charge topological derivatives gaussian zero techniques feb wave 1-2 chemistry theory quantum hartree-fock magnetic isomers a57 ammonia crystals energy fourth neutron isomer localization investigation x-ray taylor april potentials calculations avent fortran 105 fundamental g.s 2687-2697 optimized accounts scattering 2241-2266 polarized resonance biologique 213-218 chimie physique physico-chimie 114 acid 76-86 extensive systems singlet-triplet 3743-3751 excited 326 mertha vch states gaps motivation wavefunction ii 104 5872-5881 oxalic 151-157 87-100 talbi dihydrate jun bauschlicher 198 physics chemical 169-181 including field finite spin-orbit wajrak cyclic atoms ensemble-representable 261-272 .2 int 667-680 quant effects 103 421-426 4-6 225 analytic scf 18-26 212 model wolf reynolds transforms fourier 4562-4571 property 230 .6d 228-230 polarised electronic trapping generation quinones bicyclo 4.1.0 5-dione 3-diene-2 hepta-1 cyclopropa-fused 798-801 7587-7594 108 general function beryllium rev data -cyclopropa naphthalene-2 equivalence spatial 185-194 unrestricted hartree 471-476 prediction fock 1-4 lee wege collis 7-dione 505-513 challenge xno xono tensors 383-384 stages early mar form 621 opening 211-231 185-202 622 noncentrosymmetric electrostatic 1026-1033 comp 470-483 2-36 march carbon nanotubes vol anhydrase carbonic supuran sar res environ inhibitors base inorg oxygen chim 343 schiff 1-17 biomol org object-oriented based tonto system crystallography science computational 111-119 a60 obtained title constrained molecular alloxan urea iccs 142-151 shown oxides epoxides ethers exists street abdul-sada give eliminate proven first fullerene reaction hydrolyse both 755-755 dec semiempirical 12-24 forum decomposition analyses between interaction acm stern fragments iii 232-243 cascade revisited compilation cummins titmuss atomic reproducibility dot populations sobolev transactions soc.-dalton center glygly rendell bliznyuk gready 352 245-251 3-4 244-251 environment aid comput hallucinogens molec design c-1 611-633 phenylalkylamine exemplified classical benzene theoretic parameters regression flip hitchcock commun fundamanetal complement 451-459 cassam-chenai 107 iv array total reproduce 195-207 2370-2371 36-60 209-227 faithfully multipole 3285-3294
URL(s) http://www.theochem.uwa.edu.au/page/47721
Source http://www.theochem.uwa.edu.au/page/47721
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Site Management Plan Site management plan
Ownership
Content Custodian Ms Jennifer Stevenson (manager@bcs.uwa.edu.au)
Manager , School of Biomedical, Biomolecular and Chemical Sciences
Site Administrators Daniel Grimwood (reaper@theochem.uwa.edu.au)
Dylan Jayatilaka (dylan@theochem.uwa.edu.au)
Joshua McKinnon (Joshua.McKinnon@uwa.edu.au)
Site Editors Stephen Wolff (skw@theochem.uwa.edu.au)
Ben Corry (ben@theochem.uwa.edu.au)
Brian Clare (bwc@chem.uwa.edu.au)
Page Editors
Page History Today's Date is Thursday, 26th November 2009
Create Date Fri, 19 Mar 2004 15:03:38 +0800
Content Last Edited Mon, 27 Sep 2004 15:19:30 +0800
Last Editor: Daniel Grimwood (reaper)
Email: reaper@theochem.uwa.edu.au
Content Last Approved Mon, 27 Sep 2004 15:19:30 +0800
Last Approval: Daniel Grimwood (reaper)
Email: reaper@theochem.uwa.edu.au
Next Review Date A review date has not been set for this page.
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