2000 | ||
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2 | EE | Stephen P. Greatbanks, Jill E. Gready, Ajay C. Limaye, Alistair P. Rendell: Comparison of enzyme polarization of ligands and charge-transfer effects for dihydrofolate reductase using point-charge embedded ab initio quantum mechanical and linear-scaling semiempirical quantum mechanical methods. Journal of Computational Chemistry 21(9): 788-811 (2000) |
1997 | ||
1 | EE | Ajay C. Limaye: Parallel MP2-energy evaluation: Simulated shared memory approach on distributed memory parallel machines. Journal of Computational Chemistry 18(4): 552-561 (1997) |
1 | Jill E. Gready | [2] |
2 | Stephen P. Greatbanks | [2] |
3 | Alistair P. Rendell | [2] |