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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): 1821 to 1840 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | penoxsulam_CONF240_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.59052505; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF241_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.59040564; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF242_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.59074479; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF244_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58842915; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF247_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58828109; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF251_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58785125; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF252_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58776257; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF256_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58899949; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF257_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58889738; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58748549; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF263_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58714983; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF266_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58723401; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58638325; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58756819; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58831878; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58837115; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58866272; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58824913; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58888039; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58853205; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1821 to 1840 of 5986
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