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Collection's Items (Sorted by Submit Date in Descending order): 2161 to 2180 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Kadethrin_CONF182_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07683954; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07594907; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07654882; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07588416; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07693519; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07719321; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07822538; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07707370; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07711377; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07769122; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07716897; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07599989; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF54_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07879523; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF55_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07862369; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07889167; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07613121; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07746939; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07764632; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07710162; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07709988; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2161 to 2180 of 6276
