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Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | bitertanol_RR_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78780161; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78410798; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78514412; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78523413; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78763335; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78587476; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78595697; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78515049; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78514316; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78514284; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78505977; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF86_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78472235; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF93_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78424655; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77658356; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF172_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77354814; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF22_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77331980; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF37_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77389206; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF39_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77438836; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77669055; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF44_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77491031; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 6872
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