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DOI: 10.19061/iochem-bd-6-516
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Collection's Items (Sorted by Submit Date in Descending order): 2421 to 2440 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | pyroxsulam_CONF29_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85102315; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85123019; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85223298; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85221248; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85181433; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85149349; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85154173; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85141862; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85087179; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85187569; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85091164; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85050512; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85055231; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85111993; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85070824; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85050023; Eh | |||
 | 27-Mar-2025 | thiencarbazone-methyl_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2007.82699707; Eh | |||
 | 27-Mar-2025 | thiencarbazone-methyl_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2007.82697697; Eh | |||
 | 27-Mar-2025 | thiencarbazone-methyl_CONF18_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2007.82683523; Eh | |||
 | 27-Mar-2025 | thiencarbazone-methyl_CONF20_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2007.82697183; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2421 to 2440 of 5986
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