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Collection's Items (Sorted by Submit Date in Descending order): 2521 to 2540 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | naftifine_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65656342; Eh | |||
 | 28-Mar-2025 | naftifine_CONF170_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66186936; Eh | |||
 | 28-Mar-2025 | naftifine_CONF171_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66089724; Eh | |||
 | 28-Mar-2025 | naftifine_CONF177_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66195606; Eh | |||
 | 28-Mar-2025 | naftifine_CONF178_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66249568; Eh | |||
 | 28-Mar-2025 | naftifine_CONF184_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66130638; Eh | |||
 | 28-Mar-2025 | naftifine_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65680341; Eh | |||
 | 28-Mar-2025 | naftifine_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65877268; Eh | |||
 | 28-Mar-2025 | naftifine_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65675473; Eh | |||
 | 28-Mar-2025 | naftifine_CONF213_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66103583; Eh | |||
 | 28-Mar-2025 | naftifine_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65573312; Eh | |||
 | 28-Mar-2025 | naftifine_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66193959; Eh | |||
 | 28-Mar-2025 | naftifine_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66130156; Eh | |||
 | 28-Mar-2025 | naftifine_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66152072; Eh | |||
 | 28-Mar-2025 | naftifine_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66204643; Eh | |||
 | 28-Mar-2025 | naftifine_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.66177524; Eh | |||
 | 28-Mar-2025 | naftifine_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65912272; Eh | |||
 | 28-Mar-2025 | naftifine_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65940701; Eh | |||
 | 28-Mar-2025 | naftifine_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65935950; Eh | |||
 | 28-Mar-2025 | naftifine_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -867.65905350; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2521 to 2540 of 6872
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