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Published September 27, 2023 | Version v2
Dataset Open

data for "A machine-learned approach to monitor chemical reaction via in-situ infrared spectroscopy"

Description

Spectral and structural data of the AIMD trajectory and NEB

Files

split-neb-75.zip

Files (1.3 GB)

Name Size
md5:b5a7d0b57fbd20f5d2bf776b3b692a85
275.5 MB Download
md5:a3473a26626a8e0d00794e850a549d7f
493.0 MB Download
md5:ca885e094c07cf8831c4a4cbc9759032
257.8 MB Download
md5:a78ef8d8d5a57c4228f454924a486c4d
223.7 MB Download
md5:e0e4380c7b7afa6bd594b7a4953af1ca
7.3 MB Preview Download