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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): 1661 to 1680 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | metazosulfuron_CONF29_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80557060; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80328948; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80598739; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF31_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80586997; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80443795; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80297075; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80415044; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80413853; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80437831; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80339305; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF51_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80454904; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80501211; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80503860; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80497274; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80497366; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80509226; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80303508; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80514421; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80534414; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80532029; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1661 to 1680 of 5986
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