five

Spectral data for each snapshot

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Figshare2017-05-25 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Spectral_data_for_each_snapshot/5028848
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Here are four archives with raw data extracted from the log-files of PE-EFF-B3LYP/pcseg-2 calculations.m1: (+)-isoterreinm2: (-)-terreinm3: (+)-isoterreinm4: (-)-terreinThe snapshots are numbered according to the following (not so obvious scheme):Files within the archives that are:ending in *0.dat are extracted at 500nsending in *9.dat are extracted at 1000 nsending in *8.dat are extracted at 1500 nsending in *7.dat are extracted at 2000 nsending in *6.dat are extracted at 1250 nsending in *5.dat are extracted at 1750 ns
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2017-05-25
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