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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): 1601 to 1620 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | metazosulfuron_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77760334; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77902809; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF54_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77955257; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF55_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77972596; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF56_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77962807; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77979413; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77994969; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77800568; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77908355; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80697413; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80491765; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80619933; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80526746; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80546776; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80580632; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80599697; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80479790; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80757717; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80750249; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80577491; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1601 to 1620 of 5986
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