Micro-solvated DMABN: excited state quantum dynamics
收藏NIAID Data Ecosystem2026-04-30 收录
下载链接：
https://figshare.com/articles/dataset/Micro-solvated_DMABN_excited_state_quantum_dynamics/17069681
下载链接
链接失效反馈官方服务：
资源简介：
Static data: -optimised geometries at DFT, TDDFT and MP2 levels of theory for DMABN in different solvents-rasscf electronic wavefunctions for the (12,11) and (6,5) active spaces
Dynamical data:-ML-MCTDH inputs for LVC models-DD-vMCG inputs, templates and frequency files
创建时间：
2021-11-24
