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- W4313201736 abstract "ALC_EQCM is a software for post-processing Electrochemical Quartz Crystal Microbalance (EQCM) data. The implemented functionalities allow qualitative and quantitative characterization of the EQCM response, which is used to derive information of stoichiometric changes during electrochemical reactions and automatically generate atomistic models compatible with EQCM data. Through extra user-defined directives, ALC_EQCM also provides input files to execute Density Functional Theory simulations of the generated models on high-performance computing facilities. The possibility of linking EQCM data with simulation capabilities offers a novel strategy to explore configurations only compatible with experiments and support the research of complex reactions in electro-active materials." @default.
- W4313201736 created "2023-01-06" @default.
- W4313201736 creator A5007106018 @default.
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- W4313201736 date "2023-02-01" @default.
- W4313201736 modified "2023-10-14" @default.
- W4313201736 title "ALC˙EQCM: Automated stoichiometric resolution in electrochemistry through Density Functional Theory aided, Electrochemical Quartz Crystal Microbalance" @default.
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- W4313201736 doi "https://doi.org/10.1016/j.commatsci.2022.111968" @default.
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