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Collection's Items (Sorted by Submit Date in Descending order): 1761 to 1780 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_trans_CONF22_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51158633; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF23_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51175783; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF24_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51061372; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF25_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51094152; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF27_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51196924; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF28_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51196216; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF29_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51231116; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50871439; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF32_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50953008; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF36_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51211304; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF38_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50814620; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF39_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50815813; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51122104; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF42_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.50928773; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF43_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51195683; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF5_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51138499; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF6_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51149891; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF66_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51034033; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF67_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51266582; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF68_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51077116; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1761 to 1780 of 6872
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