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hi,everybody There are some new species in my work,so i must change the prepdf's thermo.db. The thermo.db has the format like: CHO 121286H 1C 1O 1 G 0300.00 5000.00 1000.00 1 i have all other data but the number "121286". is it important for the new species? if it is not important,can i neglect it? if it is important, where can i get the number?
anybody that has changed the database please tell me. thank you! |
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