Equilibrium geometry configurations of DMMI and DMHI chromophores in gas phase and microsolvation models

Name: Equilibrium geometry configurations of DMMI and DMHI chromophores in gas phase and microsolvation models
Creator: Lomonosov Moscow State University
Published: 2020-08-24T00:00:00+08:00

Zenodo2020-08-24 更新2026-04-07 收录

发色团分子构型

计算化学微观溶剂化

数据链接：

https://zenodo.org/record/3997361 数据链接链接失效反馈

官方服务：

资源简介：

Gas phase and microsolvation models are marked as "gas" and "solv" in the file names. Cis- and trans-enol formes are marked as "CIS" and "TRANS", respectively; keto form has "KETO" in the file name.

提供机构：

Lomonosov Moscow State University

创建时间：

2020-08-24