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Supplementary Data for Paper Entitled "Acid-base dissociation mechanisms and energetics at the silica–water interface: an activationless process"

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http://eprints.soton.ac.uk/401050/
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资源简介:
Publication Submission Contents includes the publication (lyx document) and images in respective subfolders. XYZ animations includes .xyz file-format trajectories showing the geometry optimisations from the paper Raw Data archive provides raw data used in simulations (input files and output files <5Mb)
提供机构:
University of Southampton
创建时间:
2016-10-07
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