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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): 1101 to 1120 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | diclosulam_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37465635; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF51_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37408419; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37511798; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF62_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37541397; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37543870; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF66_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37499775; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37517036; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37435844; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37734239; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF70_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37509198; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37478019; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37491307; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37499989; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37506201; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF76_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37489758; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37478008; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37511649; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37532798; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37531881; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF89_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37488393; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1101 to 1120 of 5986
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