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Collection's Items (Sorted by Submit Date in Descending order): 61 to 80 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | bitertanol_RR_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77643779; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF50_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77422376; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF57_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77481028; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF60_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77615942; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF61_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77612632; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF62_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77605570; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF66_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77609206; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF69_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77392816; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF72_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77386170; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF74_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77368587; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF86_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77437273; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF91_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77464302; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF93_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77442927; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF11_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75850630; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75909630; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF68_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75670869; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF72_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75668975; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF77_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75710227; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF92_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75606033; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF93_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75591724; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 61 to 80 of 6872
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