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Collection's Items (Sorted by Submit Date in Descending order): 1701 to 1720 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_cis_CONF130_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53074813; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF132_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53006781; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF134_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52635383; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF135_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52669967; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52812176; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF15_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53007840; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53042193; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF168_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53092013; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52759709; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52770486; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52809170; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF25_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52557198; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF29_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52910124; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF30_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53066434; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF31_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53080914; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF32_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52831467; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF33_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52847203; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF34_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52932238; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF35_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52847400; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF38_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53011785; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1701 to 1720 of 6872
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