Supporting Information and Dataset: Proton–Deuteron Tunnelling Splittings in Hydrogen Bonds
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资源简介:
"This dataset contains supporting information (SI), numerical tunnelling splittings (CSV), convergence tests, and example code accompanying the manuscript on quantum tunnelling across hydrogen bonds. The data includes calculated tunnelling splittings for proton (H) and deuteron (D), grid-size convergence tests, and a minimal Python code to reproduce one-dimensional Schrödinger double-well calculations. The dataset is intended to support reproducibility and re-use in studies of isotope effects in hydrogen bonding and quantum tunnelling phenomena.",
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Zenodo创建时间:
2025-10-17



