Formaldehyde-and-water geometries for "Reduced Scaling Correlated Natural Transition Orbitals for Multilevel Coupled Cluster Calculations"

Name: Formaldehyde-and-water geometries for "Reduced Scaling Correlated Natural Transition Orbitals for Multilevel Coupled Cluster Calculations"
Creator: Norwegian University of Science and Technology
Published: 2024-06-20T00:00:00+08:00

Zenodo2024-06-20 更新2026-04-07 收录

多级耦合簇计算

分子几何结构

数据链接：

https://zenodo.org/doi/10.5281/zenodo.12179473 数据链接链接失效反馈

官方服务：

资源简介：

Formaldehyde and formaldehyde-in-water geometries used in "Reduced Scaling Correlated Natural Transition Orbitals for Multilevel Coupled Cluster Calculations" in xyz-format.

提供机构：

Norwegian University of Science and Technology

创建时间：

2024-06-20