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[ACS] Constant Potential and Constrained Charge Ensembles for Simulations of Conductive Electrodes

gene009 Post time 2024-5-27 17:20:48 | Show all posts |Read mode
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journal：Journal of Chemical Theory and Computation

Authors：Shern R. Tee; Debra J. Searles

Published date：2023-5-23

DOI：10.1021/acs.jctc.3c00153

PDF link：https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00153

Article link：http://dx.doi.org/10.1021/acs.jctc.3c00153

Article Source：American Chemical Society (ACS)。


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Georgee Junior Member
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Georgee Post time 2024-5-27 17:20:49 | Show all posts

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