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Collection's Items (Sorted by Submit Date in Descending order): 2541 to 2560 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | naftifine_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66415123; Eh | |||
 | 28-Mar-2025 | naftifine_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66439451; Eh | |||
 | 28-Mar-2025 | naftifine_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66389617; Eh | |||
 | 28-Mar-2025 | naftifine_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66374674; Eh | |||
 | 28-Mar-2025 | naftifine_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66380967; Eh | |||
 | 28-Mar-2025 | naftifine_CONF70_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66372372; Eh | |||
 | 28-Mar-2025 | naftifine_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66342908; Eh | |||
 | 28-Mar-2025 | naftifine_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66196637; Eh | |||
 | 28-Mar-2025 | naftifine_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66184305; Eh | |||
 | 28-Mar-2025 | naftifine_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66396168; Eh | |||
 | 28-Mar-2025 | naftifine_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65515962; Eh | |||
 | 28-Mar-2025 | naftifine_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66357036; Eh | |||
 | 28-Mar-2025 | naftifine_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66184102; Eh | |||
 | 28-Mar-2025 | naftifine_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66343172; Eh | |||
 | 28-Mar-2025 | naftifine_CONF89_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66384087; Eh | |||
 | 28-Mar-2025 | naftifine_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65560777; Eh | |||
 | 28-Mar-2025 | naftifine_CONF91_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66329268; Eh | |||
 | 28-Mar-2025 | naftifine_CONF92_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66310714; Eh | |||
 | 28-Mar-2025 | naftifine_CONF96_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66389406; Eh | |||
 | 28-Mar-2025 | naftifine_CONF97_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66402119; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2541 to 2560 of 6872
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