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Collection's Items (Sorted by Submit Date in Descending order): 181 to 200 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | difenoconazole_RR_CONF47_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66889276; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF49_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66637661; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF5_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66856306; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF50_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66898587; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF52_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66905001; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF54_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66647269; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF55_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66898657; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF6_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66858212; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF60_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66790539; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF62_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66870038; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF64_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66869103; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF65_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66818132; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF67_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66652956; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66860810; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF70_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66865298; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF72_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.67029847; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF73_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66662665; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF74_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66884867; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF75_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66993801; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66623083; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 181 to 200 of 6872
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