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Collection's Items (Sorted by Submit Date in Descending order): 1721 to 1740 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_cis_CONF39_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52996096; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52878626; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF40_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52951087; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF41_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52566799; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF42_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52603939; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF44_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53046135; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF45_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52976857; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF49_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52629295; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52864828; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF50_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52747079; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52877678; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF63_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52542891; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF69_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52645274; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52842846; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF79_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52938286; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52945827; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF80_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52873339; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF81_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52540451; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF84_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52618369; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF89_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52611088; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1721 to 1740 of 6872
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