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Macrotricyclic quaternary tetraammonium receptors: Halide anion recognition and interfacial activity at an aqueous interface. A molecular dynamics investigation.
Alain Chaumont
Georges Wipff
Published in:
J. Comput. Chem. (2002)
Keyphrases
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molecular dynamics
human activities
high performance computing
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scientific data
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data generation
fluid flow
molecular dynamics simulations
wireless sensor networks