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Collection's Items (Sorted by Submit Date in Descending order): 341 to 360 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | difenoconazole_RS_CONF52_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66672278; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF53_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66916793; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF54_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.67070255; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF55_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.67055857; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF6_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66901339; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF61_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.67068937; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF63_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.67062481; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF64_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66985517; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF65_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66869425; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF67_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.67019916; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66913590; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF73_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.67007487; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF74_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66951549; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66934686; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF81_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66999189; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF84_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.67025132; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF85_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66911080; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF9_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66939658; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF95_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66890914; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF99_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2044.66967752; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 341 to 360 of 6872
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