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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Cyphenothrin_RR_CONF381_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10561481; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF383_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10567226; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF384_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10776017; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF392_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10520765; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF394_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10706218; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF399_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10689793; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10420758; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10457484; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF401_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10597045; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF404_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10255353; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10404330; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF414_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10739556; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF416_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10251568; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF417_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10586475; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF419_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10690112; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF421_octanol | Pulgar Rubio, Antonio | Orca | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10245567; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF422_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10504943; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF423_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10560525; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF424_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10611475; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF426_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10692412; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 6276
