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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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f60e0ffa91
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Add support for Supporting info (SI)
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2020-01-29 17:20:34 +01:00 |
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68eac5baf5
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Add Larger compounds table of supporting
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2020-01-29 17:20:34 +01:00 |
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0da83827b0
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Add thioformaldehyde CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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46a96c3329
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Add Methanimine CC3 supporting
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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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ea27a61da6
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Add Ethylene CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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cc6f12852e
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Add acetylene CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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9b9fa79d88
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Add Carbon monoxide CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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1e6248812c
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Fix Full FC in basis
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2020-01-29 17:20:34 +01:00 |
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7349f30380
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Add Dinitrogen CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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42f2712f67
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Add hydrogen chloride CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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8034c12340
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Add ammonia CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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ba3cc8382b
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Add hydrogen sulfide CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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a8b14bba72
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Add water CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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1e143b9d16
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Add singulet and triplet eexcitation type
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2020-01-29 17:20:34 +01:00 |
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705bc731bc
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Rename and fix TBE and TBE(FC)
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2020-01-29 17:20:34 +01:00 |
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91d7ed72f5
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Set other value to max bit shifts 1 << 31
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2020-01-29 17:20:34 +01:00 |
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387981c6a8
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Fix parsing others
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2020-01-29 17:20:34 +01:00 |
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05e39690e0
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Fix π->π* parsing
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2020-01-29 17:20:34 +01:00 |
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c38cf55e79
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Add others excitationType
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2020-01-29 17:20:34 +01:00 |
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f1d24fb938
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Fix excitation type parsing
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2020-01-29 17:20:34 +01:00 |
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7d2f503388
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Add basis for TBE
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2020-01-29 17:20:34 +01:00 |
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01492d7c52
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Add padding for label
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2020-01-29 17:20:34 +01:00 |
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1d59151f3e
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Fix excitationFilter presentation
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2020-01-29 17:20:34 +01:00 |
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134dc0c6e4
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Fix bad word
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2020-01-29 17:20:34 +01:00 |
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f817d7329f
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Fix parenthesis
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2020-01-29 17:20:34 +01:00 |
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ef60928c4f
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Fix value instead of Value
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2020-01-29 17:20:34 +01:00 |
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c72176d808
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Add nestedCheckboxes eventHandler
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2020-01-29 17:20:34 +01:00 |
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74dce2168f
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Use << (left shift) operator instead of fixed value to set excitationType
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2020-01-29 17:20:34 +01:00 |
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2434659c95
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FIx bugs and add newtable
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2020-01-29 17:20:34 +01:00 |
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06ac6fdcfe
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Add adtitional function to DOICache
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2020-01-29 17:20:34 +01:00 |
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3a72177129
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Add code
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2020-01-29 17:20:34 +01:00 |
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8caf38678a
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Add geometry
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2020-01-29 17:20:34 +01:00 |
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fc6b536cab
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Replace method with expermental when is needed
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2020-01-29 17:20:34 +01:00 |
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e3fc183184
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Add DOI
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2020-01-29 17:20:34 +01:00 |
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3c54772499
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Rename exp
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2020-01-29 17:20:34 +01:00 |
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288a0a8650
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Delete all Th and Theo
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2020-01-29 17:20:34 +01:00 |
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a650004aa9
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Add TBE
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2020-01-29 17:20:34 +01:00 |
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575cb8d08c
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Add first vertical table
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2020-01-29 17:20:34 +01:00 |
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ae5b602ed6
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Add thioformaldehyde
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2020-01-29 17:20:34 +01:00 |
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8be807fbd5
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Add methanimine
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2020-01-29 17:20:34 +01:00 |
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ed13c31f36
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Add formaldehyde
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2020-01-29 17:20:34 +01:00 |
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289853ddfb
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Add ethylene
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2020-01-29 17:20:34 +01:00 |
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e5a47f7ed7
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Add acetylene
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2020-01-29 17:20:34 +01:00 |
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c30cb69997
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Add carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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8cb4cf8feb
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Add dinitrogen
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2020-01-29 17:20:34 +01:00 |
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6b227943ea
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Delete not wanted file and rename exp
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2020-01-29 17:20:34 +01:00 |
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02d948ea75
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Add ammonia
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2020-01-29 17:20:34 +01:00 |
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0cef9b8935
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Add Hydrogen sulfide
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2020-01-29 17:20:34 +01:00 |
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