Alistair Rendell
Affiliations: | Research School of Computer Science | Australian National University, Acton, Australian Capital Territory, Australia | |
| 2019- | Flinders University, Bedford Park, South Australia, Australia |
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| Leang SS, Rendell AP, Gordon MS. (2014) Quantum Chemical Calculations Using Accelerators: Migrating Matrix Operations to the NVIDIA Kepler GPU and the Intel Xeon Phi. Journal of Chemical Theory and Computation. 10: 908-12 |
| Limpanuparb T, Milthorpe J, Rendell AP. (2014) Resolutions of the Coulomb operator: VIII. Parallel implementation using the modern programming language X10. Journal of Computational Chemistry. 35: 2056-69 |
| Limpanuparb T, Milthorpe J, Rendell AP, et al. (2013) Resolutions of the Coulomb Operator: VII. Evaluation of Long-Range Coulomb and Exchange Matrices. Journal of Chemical Theory and Computation. 9: 863-7 |
| Limpanuparb T, Milthorpe J, Rendell AP, et al. (2013) Resolutions of the Coulomb operator: VII. Evaluation of long-range Coulomb and exchange matrices Journal of Chemical Theory and Computation. 9: 863-867 |
| Reimers JR, Shapley WA, Rendell AP, et al. (2003) Modelling the bacterial photosynthetic reaction center. VI. Use of density-functional theory to determine the nature of the vibronic coupling between the four lowest-energy electronic states of the special-pair radical cation Journal of Chemical Physics. 119: 3249-3261 |
| Reimers J, Rendell A, Hush N. (2001) Unifying ENDOR, electrochemical, and FTIR spectroscopic results for the Special-Pair radical cation in bacterial photosynthesis Science Access. 3 |
| Bacskay GB, Rendell APL, Hush NS. (1988) Ab initio quantum chemical study of the molecular and spectroscopic (infrared and Raman) properties of sulfur dioxide: Comparison with ozone The Journal of Chemical Physics. 89: 5721-5730 |
| Rendell APL, Bacskay GB, Hush NS. (1988) Electron transfer via dithiaspiroalkane linkages. Nature of long-range through-bond electronic coupling in disulfoxide radical cations and bis(metal) complexes and implications for the characterization of the SO bond Journal of the American Chemical Society. 110: 8343-8354 |
| Rendell APL, Bacskay GB, Hush NS. (1987) An ab initio quantum chemical study of the hydrogen‐ and ‘‘anti’’‐hydrogen‐bonded HF/ClF and HF/Cl2 dimers The Journal of Chemical Physics. 87: 535-544 |
| Rendell APL, Bacskay GB, Hush NS, et al. (1987) The analytic configuration interaction gradient method: The calculation of one electron properties The Journal of Chemical Physics. 87: 5976-5986 |