官方服务：
资源简介：
JARVIS-DFT
应用场景：
创建时间：
2020-07-14
相关数据集
Materials Data on TaCo2N3 by Materials Project
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For
DataCite Commons2021-02-04 更新90
Accelerated chemical aging of crystalline nuclear waste forms: A density functional theory study of 109 Cdx 109 Ag1-xS
Accelerated chemical aging of crystalline nuclear waste forms: A density functional theory study of 109 Cdx 109 Ag1-xS
Digital Science - Figshare2026-03-27 更新40
DFT study of the thermodynamics of the reaction between dimethyl carbonate and thymidine and xylose-derived cyclic carbonates
Data to support article: CO2-driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation DOI: 10.6084/m9.figshare.4309469 Authors: Georgina
NIAID Data Ecosystem80
Quantum Point Defects in 2D Materials (QPOD) Database
The database contains structural, thermodynamic, electronic, magneto-optical properties of 500 distinct intrinsic point defects in 2D Materials. The properties are calculated by density functional the
DataCite Commons2023-07-17 更新50
