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J. M. D. MacElroy

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2010 – 2019

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2014
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Sateesh Bandaru, Niall J. English, J. M. D. MacElroy:
Implicit and explicit solvent models for modeling a bifunctional arene ruthenium hydrogen-storage catalyst: A classical and ab initio molecular simulation study. J. Comput. Chem. 35(9): 683-691 (2014)
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Sateesh Bandaru, Niall J. English, Andrew D. Phillips, J. M. D. MacElroy:
Towards the design of novel boron- and nitrogen-substituted ammonia-borane and bifunctional arene ruthenium catalysts for hydrogen storage. J. Comput. Chem. 35(12): 891-903 (2014)

2000 – 2009

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2003
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Niall J. English, J. M. D. MacElroy:
Structural and dynamical properties of methane clathrate hydrates. J. Comput. Chem. 24(13): 1569-1581 (2003)

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