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Collection's Items (Sorted by Submit Date in Descending order): 321 to 340 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | difenoconazole_RS_CONF123_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66888813; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF125_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66870118; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF127_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66884147; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF129_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66713690; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF131_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66864589; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF141_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66869937; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF144_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66719555; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66682604; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF16_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66690474; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66877448; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF22_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66728112; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF25_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66918834; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF27_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66879891; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66880319; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF32_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66656152; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF34_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66698663; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF36_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66918238; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF42_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66874206; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF44_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66809740; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF5_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66909153; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 321 to 340 of 6872
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