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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): 1581 to 1600 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | metazosulfuron_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77904875; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77791020; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77917106; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77812553; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77823421; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77788575; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77735721; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77908341; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77733068; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77994953; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77876849; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.78005699; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77995458; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77764619; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.78021536; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.78070974; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77880856; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77885733; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77893265; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2350.77898659; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1581 to 1600 of 5986
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