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Collection's Items (Sorted by Submit Date in Descending order): 241 to 260 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | difenoconazole_RR_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69835967; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69533834; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69738465; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69608701; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69757968; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69821219; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69719774; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69836480; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69982971; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69784744; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69810760; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69919193; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF83_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69820639; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF84_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69834254; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69953584; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF87_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69708718; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69461961; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF90_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69921146; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF93_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69935373; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF94_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69727251; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 241 to 260 of 6872
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