Translucent Structural Steel (MoO₂): Genetic Algorithm + DFT + FEM — Corrected Dataset v2
收藏官方服务:
资源简介:
Version 2 (May 2026) — Corrected dataset for the manuscript 'Translucent Structural Steel Based on MoO₂' (JCSR, Elsevier). Version 1 contained an ORCA H₂O simulation by error; v2 uses PySCF UB3LYP/def2-SVP+ECP28 for Mo-O (triplet). Corrected E=288.6 GPa (VRH), GA Utopia Point fitness, FEM anastruct. Patent BR 10 2024 024314-5 (INPI). Author: Luiz R. M. da Silva, UNISAGRADO.
提供机构:
Zenodo创建时间:
2026-05-18



