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Collection's Items (Sorted by Submit Date in Descending order): 1101 to 1120 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpropidin_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52779542; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53266326; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53166937; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF87_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53197344; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF89_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53206671; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.52768410; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF90_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.53182478; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07082941; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07181680; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07387557; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07218062; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07217930; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07184598; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07089247; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07228050; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07009212; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07234575; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07243751; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07546111; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07509679; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1101 to 1120 of 6872
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