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Collection's Items (Sorted by Submit Date in Descending order): 1661 to 1680 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Halfenprox_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11175302; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF485_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11299097; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF494_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11452902; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF499_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11441928; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11289428; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF501_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11457223; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11306165; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF512_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11344828; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF514_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11314289; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF516_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11299504; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF519_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11296374; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF553_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11520009; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF555_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11494628; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF566_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11459583; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF570_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11482285; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF580_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11485351; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11060891; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF592_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11450888; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11550832; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF611_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11483622; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1661 to 1680 of 6276
