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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): 1681 to 1700 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | metazosulfuron_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80431449; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80442065; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80515379; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80518901; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80345153; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80500437; Eh | |||
 | 27-Mar-2025 | metosulam_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65785291; Eh | |||
 | 27-Mar-2025 | metosulam_CONF111_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65622060; Eh | |||
 | 27-Mar-2025 | metosulam_CONF112_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65636290; Eh | |||
 | 27-Mar-2025 | metosulam_CONF123_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65621259; Eh | |||
 | 27-Mar-2025 | metosulam_CONF151_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65601760; Eh | |||
 | 27-Mar-2025 | metosulam_CONF152_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65613557; Eh | |||
 | 27-Mar-2025 | metosulam_CONF155_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65649959; Eh | |||
 | 27-Mar-2025 | metosulam_CONF156_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65683928; Eh | |||
 | 27-Mar-2025 | metosulam_CONF161_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65676841; Eh | |||
 | 27-Mar-2025 | metosulam_CONF164_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65572941; Eh | |||
 | 27-Mar-2025 | metosulam_CONF166_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65472808; Eh | |||
 | 27-Mar-2025 | metosulam_CONF167_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65561061; Eh | |||
 | 27-Mar-2025 | metosulam_CONF182_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65660029; Eh | |||
 | 27-Mar-2025 | metosulam_CONF183_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2434.65698457; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1681 to 1700 of 5986
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