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Collection's Items (Sorted by Submit Date in Descending order): 1601 to 1620 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Halfenprox_CONF209_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11214321; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11377325; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF218_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11388316; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11558556; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11389782; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF231_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11366312; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF235_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11372398; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF237_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11296891; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF239_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11539037; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF247_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11486317; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF250_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11453758; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF254_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11468436; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF261_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11576191; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF266_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11398830; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF275_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11368151; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF279_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11300519; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF282_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10982933; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF286_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11430015; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF287_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11314937; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF289_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11483191; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1601 to 1620 of 6276
