The Paraquinone + H2 → Hydroquinone Reaction: A Challenge for Diffusion Monte Carlo Calculations

Name: The Paraquinone + H2 → Hydroquinone Reaction: A Challenge for Diffusion Monte Carlo Calculations
Creator: Materials Data Facility
Published: 2024-01-19T19:57:48+08:00

DataCite Commons2024-02-26 更新2025-04-15 收录

反应模拟

扩散蒙特卡洛计算

数据链接：

https://www.materialsdatafacility.org/detail/quinone_qmc_v1.2 数据链接链接失效反馈

官方服务：

资源简介：

This data set contains input and outfiles for the simulations associated with the paper: "The Paraquinone + H2 → Hydroquinone Reaction: A Challenge for Diffusion Monte Carlo Calculations." N, Mauger A. Benali and K. D. Jordan

提供机构：

Materials Data Facility

创建时间：

2024-01-19

The Paraquinone + H2 → Hydroquinone Reaction: A Challenge for Diffusion Monte Carlo Calculations

资源简介：

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