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Collection's Items (Sorted by Submit Date in Descending order): 1741 to 1760 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_cis_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52800375; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF91_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52863294; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF97_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53238670; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF99_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53208702; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51070418; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF10_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50910906; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF107_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51371637; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF113_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51058979; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF114_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51243009; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF118_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51260451; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF12_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50891135; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF13_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50919976; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF14_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50942544; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51009289; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF16_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51032824; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF17_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50978661; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF18_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51122529; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF19_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51136362; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF20_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50645356; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF21_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50630436; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1741 to 1760 of 6872
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