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Collection's Items (Sorted by Submit Date in Descending order): 1081 to 1100 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpropidin_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53354984; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53055442; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53325085; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52729880; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53250621; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53065652; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53320919; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52749559; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52743821; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF51_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52862934; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52658441; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53308181; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53300068; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF66_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53333371; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52972812; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52677621; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52987941; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52937999; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF78_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53340975; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53310037; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1081 to 1100 of 6872
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