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This repository contains all of the raw data, Q-Chem inputs, and plotting scripts for the paper "Gaussian-Based Periodic Grand Canonical Density Functional Theory with Implicit Solvation for Computational Electrochemistry"
JoonhoLee-Group/gto-based-gcdft-data
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This repository contains all of the raw data, Q-Chem inputs, and plotting scripts for the paper "Gaussian-Based Periodic Grand Canonical Density Functional Theory with Implicit Solvation for Computational Electrochemistry"
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