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Browsing by Author Titmuss, Stephen

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Comparison of linear-scaling semiempirical methods and combined quantum mechanical / molecular mechanical methods applied to enzyme reactions

Author(s)Titmuss, Stephen; Cummins, Peter; Bliznyuk, Andrei, et al
TypeJournal article
Date Published2000
Date Created-

Comparison of Linear-Scaling Semiempirical Methods and Combined Quantum Mechanical/Molecular Mechanical Methods for Enzymic Reactions. II. An Energy Decomposition Analysis.

Author(s)Titmuss, Stephen; Cummins, Peter; Rendell, Alistair, et al
TypeJournal article
Date Published2002
Date Created-
02_Cummins_Comparison_of_semiempirical_2002.pdf.jpg

Comparison of semiempirical and ab initio QM decomposition analyses for the interaction energy between molecules

Author(s)Cummins, Peter; Titmuss, Stephen; Jayatilaka, Dylan, et al
TypeJournal article
Date Published2002
Date Created-
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