Reproducibility Data for "Quantitative Structure and Energetics of Pyrophosphate Protonation Microstates in Implicit Water"
收藏官方服务：
资源简介：
Q-Chem 6.2 input/output files, optimized Cartesian coordinates, calculation metadata, manifests, and checksums supporting the reported pyrophosphate protonation-microstate calculations.
提供机构：
Zenodo创建时间：
2026-09-27
