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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): 1161 to 1180 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | diclosulam_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40498236; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40471837; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40432936; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40656017; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40471556; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40500686; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40505860; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40494781; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40500521; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40497280; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF80_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40444700; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40450169; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40458924; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF87_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40538436; Eh | |||
 | 27-Mar-2025 | florasulam_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32883436; Eh | |||
 | 27-Mar-2025 | florasulam_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32828748; Eh | |||
 | 27-Mar-2025 | florasulam_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32831348; Eh | |||
 | 27-Mar-2025 | florasulam_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32828389; Eh | |||
 | 27-Mar-2025 | florasulam_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32857861; Eh | |||
 | 27-Mar-2025 | florasulam_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1659.32817155; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1161 to 1180 of 5986
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