Raw data for 'Prediction of Photodynamics of 200 nm Excited Cyclobutanone with Linear Response Electronic Structure and Ab Initio Multiple Spawning'
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Raw data from AIMS simulations and scripts for image generation for the paper "Prediction of Photodynamics of 200 nm Excited Cyclobutanone with Linear Response Electronic Structure and Ab Initio Multiple Spawning": J. Chem. Phys. 2024.
本数据集包含发表于2024年《化学物理学报》(*J. Chem. Phys.*)的论文《基于线性响应电子结构与从头算多重激发(Ab Initio Multiple Spawning)方法预测200 nm激发态环丁酮的光动力学过程》所使用的AIMS(Ab Initio Multiple Spawning,从头算多重激发)模拟原始数据与图像生成脚本。
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Zenodo创建时间:
2024-05-15



