Data

Water transport through functionalized CNTs determined by molecular simulation

Curtin University
Dr Zak Hughes (Aggregated by)
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft.title=Water transport through functionalized CNTs determined by molecular simulation&rft.publisher=Curtin University&rft.description=This dataset contains the data generated from molecular dynamics simulations of carbon nanotubes (CNTs) with functionalized terminations. The behaviour of both water and salt ions (sodium and chloride) at and through the CNTs have been analysed. The simulations were performed using the iVEC facilities.&rft.creator=Dr Zak Hughes&rft.date=2012&rft.relation=http://dx.doi.org/10.1021/jp307679h&rft_subject=Statistical Mechanics in Chemistry&rft_subject=CHEMICAL SCIENCES&rft_subject=THEORETICAL AND COMPUTATIONAL CHEMISTRY&rft_subject=Physical Chemistry of Materials&rft_subject=MACROMOLECULAR AND MATERIALS CHEMISTRY&rft.type=dataset&rft.language=English Access the data

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Brief description

This dataset contains the data generated from molecular dynamics simulations of carbon nanotubes (CNTs) with functionalized terminations. The behaviour of both water and salt ions (sodium and chloride) at and through the CNTs have been analysed. The simulations were performed using the iVEC facilities.

Created: 2012-11-29

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Subjects
Chemical Sciences | Macromolecular and Materials Chemistry | Physical Chemistry of Materials | Statistical Mechanics in Chemistry | Theoretical and Computational Chemistry |

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ACN 633 798 857