Two- and one-photon absorption spectra of aqueous thiocyanate anion highlight the role of symmetry in the condensed phase

Name: Two- and one-photon absorption spectra of aqueous thiocyanate anion highlight the role of symmetry in the condensed phase
Creator: University of Southern California; Syracuse University; QChem
Published: 2023-11-19T00:00:00+08:00

Zenodo2023-11-19 更新2026-04-07 收录

计算光谱学

分子动力学模拟

数据链接：

https://zenodo.org/doi/10.5281/zenodo.10156631 数据链接链接失效反馈

官方服务：

资源简介：

The snapshots.zip contains the snapshots extracted from QM/MM AIMD simulations used in 2PA calculations The 2pa_inp_out.zip contains the 2PA calculation input and output files for each of the snapshots.

提供机构：

University of Southern California; Syracuse University; QChem

创建时间：

2023-11-19