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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Sep-2023 | Carbosulfan_CONF165_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.90038600; Eh | |||
 | 7-Jun-2023 | bromobutide_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3289.13567672; Eh | |||
 | 7-Jun-2023 | bromobutide_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -3289.13730471; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF1566_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.90092184; Eh | |||
 | 7-Jun-2023 | bensulide_CONF415_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.77591997; Eh | |||
 | 7-Jun-2023 | bensulide_CONF414_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.77501723; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF1472_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.90030902; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89890550; Eh | |||
 | 22-Sep-2023 | Carbosulfan_CONF148_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1514.89909455; Eh | |||
 | 7-Jun-2023 | bensulide_CONF301_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.77627433; Eh |
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- 2158 Mass spectrometry
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- 2113 Peptides
- 473 cannabinoid
- 473 silver
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- 394 Lewis acids
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