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Collection's Items (Sorted by Submit Date in Descending order): 1161 to 1180 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpropimorph_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09553022; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09558793; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09577182; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09575763; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09275524; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09142312; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09284711; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF83_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09260963; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09590332; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF90_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09490999; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF92_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09468665; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07619704; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF102_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08158575; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF104_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08130165; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF105_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08149131; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07727504; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07850999; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07807102; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07835255; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07640399; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1161 to 1180 of 6872
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