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Collection's Items (Sorted by Submit Date in Descending order): 1541 to 1560 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Halfenprox_CONF156_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09130247; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF159_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09180760; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF163_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.08915479; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF168_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09206203; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF170_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09224878; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF173_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09274422; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09017870; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09008514; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09135457; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF267_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09075393; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.08960447; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF313_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09390588; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF335_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09276620; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF348_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09287722; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF351_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09394368; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF355_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09308880; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF356_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09281558; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF357_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09252837; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF369_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09093367; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF392_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09355449; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1541 to 1560 of 6276
