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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): 1181 to 1200 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | florasulam_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32743903; Eh | |||
 | 27-Mar-2025 | florasulam_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32784386; Eh | |||
 | 27-Mar-2025 | florasulam_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32718061; Eh | |||
 | 27-Mar-2025 | florasulam_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32830109; Eh | |||
 | 27-Mar-2025 | florasulam_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32829767; Eh | |||
 | 27-Mar-2025 | florasulam_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32814489; Eh | |||
 | 27-Mar-2025 | florasulam_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32857572; Eh | |||
 | 27-Mar-2025 | florasulam_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32853920; Eh | |||
 | 27-Mar-2025 | florasulam_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32786517; Eh | |||
 | 27-Mar-2025 | florasulam_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32848239; Eh | |||
 | 27-Mar-2025 | florasulam_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32808293; Eh | |||
 | 27-Mar-2025 | florasulam_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32836326; Eh | |||
 | 27-Mar-2025 | florasulam_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32709692; Eh | |||
 | 27-Mar-2025 | florasulam_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32644936; Eh | |||
 | 27-Mar-2025 | florasulam_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32713303; Eh | |||
 | 27-Mar-2025 | florasulam_CONF42_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32753722; Eh | |||
 | 27-Mar-2025 | florasulam_CONF44_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32763144; Eh | |||
 | 27-Mar-2025 | florasulam_CONF47_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32636726; Eh | |||
 | 27-Mar-2025 | florasulam_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32755546; Eh | |||
 | 27-Mar-2025 | florasulam_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32755574; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1181 to 1200 of 5986
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