Published August 2, 2016
| Version v1
Dataset
Open
Optimized geometries for selected ions of ionic liquids and small molecules
Description
The geometries of these selected chemical entities were optimized at the ab initio or semiempirical levels of theory. They can be conveniently used to create more complicated systems through combining species like the free PACKMOL software offers.
Files
Files
(10.9 kB)
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md5:2ae9b8657f5032c368f2f3c261837292
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370 Bytes | Download |
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md5:cafb61bc414e335e8050acdd62a636c7
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310 Bytes | Download |
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md5:617df51b9afc042f72e4d4dd40ed07ae
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230 Bytes | Download |
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md5:345a069fbc37bf6ef2ab368eab2602da
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550 Bytes | Download |
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md5:804fae7cd25ece35e45c66e96257b0e4
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611 Bytes | Download |
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md5:6c293f2585594f201e3b5bbe53a85da6
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190 Bytes | Download |
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md5:d8ecb02dd0f0beab75b016aca47f39e6
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1.3 kB | Download |
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md5:4b64b294b8be7cb7fc6c6ee1a0bf76a5
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2.2 kB | Download |
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md5:808c13659404fe70317997b8eed21d87
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218 Bytes | Download |
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md5:fc576437be612517cbce8fb20f1abd46
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132 Bytes | Download |
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md5:13f6eb6ce3354ef07fde7054390d34e0
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671 Bytes | Download |
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md5:dbc8646cf1763822d54f56efdc4b91d8
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1.1 kB | Download |
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md5:6b63c13351aa8b714a65637cc3bf6874
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250 Bytes | Download |
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md5:e840bad7a4dce961ab036f8dde2f2ef1
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1.8 kB | Download |
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md5:08b2211ef23a0caadcc5ee6fa68c12af
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1.0 kB | Download |