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caf0ef124f
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Fix first symmetry alignment
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2020-03-27 14:35:01 +01:00 |
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c9bea63f51
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Replace formaldehyde
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2020-02-19 17:14:27 +01:00 |
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9a0eb03769
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Fix excitation for formaldehyde
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2020-01-29 17:20:34 +01:00 |
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97b575d1bb
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Fix transition for formaldehyde
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2020-01-29 17:20:34 +01:00 |
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a2f04156a3
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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f051f48b42
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Add geometry for new files
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2020-01-29 17:20:34 +01:00 |
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b29ce581d2
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Add DOI to new datas
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2020-01-29 17:20:34 +01:00 |
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81ad786acd
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Add Formaldehyde CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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