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Collection's Items (Sorted by Submit Date in Descending order): 2661 to 2680 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | naftifine_CONF179_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67235293; Eh | |||
 | 28-Mar-2025 | naftifine_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.66629799; Eh | |||
 | 28-Mar-2025 | naftifine_CONF181_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67218764; Eh | |||
 | 28-Mar-2025 | naftifine_CONF184_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67173911; Eh | |||
 | 28-Mar-2025 | naftifine_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.66838860; Eh | |||
 | 28-Mar-2025 | naftifine_CONF194_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67110787; Eh | |||
 | 28-Mar-2025 | naftifine_CONF195_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67094363; Eh | |||
 | 28-Mar-2025 | naftifine_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.66867607; Eh | |||
 | 28-Mar-2025 | naftifine_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.66611781; Eh | |||
 | 28-Mar-2025 | naftifine_CONF200_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67097261; Eh | |||
 | 28-Mar-2025 | naftifine_CONF203_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67048057; Eh | |||
 | 28-Mar-2025 | naftifine_CONF205_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67088618; Eh | |||
 | 28-Mar-2025 | naftifine_CONF207_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67095252; Eh | |||
 | 28-Mar-2025 | naftifine_CONF209_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67093311; Eh | |||
 | 28-Mar-2025 | naftifine_CONF212_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67250332; Eh | |||
 | 28-Mar-2025 | naftifine_CONF215_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67200695; Eh | |||
 | 28-Mar-2025 | naftifine_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.66631916; Eh | |||
 | 28-Mar-2025 | naftifine_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.66618071; Eh | |||
 | 28-Mar-2025 | naftifine_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67050350; Eh | |||
 | 28-Mar-2025 | naftifine_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.66831667; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2661 to 2680 of 6872
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