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Collection's Items (Sorted by Submit Date in Descending order): 81 to 100 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | bitertanol_RS_CONF99_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75591855; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78710236; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78528157; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78570041; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78554056; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78497895; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78531837; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78401902; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78611783; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78396984; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78428538; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78615660; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78639431; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78567025; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78595179; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF90_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78401277; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF93_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78397121; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF94_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78402855; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78400662; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF99_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.78409805; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 81 to 100 of 6872
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