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Collection's Items (Sorted by Submit Date in Descending order): 1221 to 1240 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpyrazamine_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43915747; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43771564; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43758523; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43572058; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43618145; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43782211; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43654385; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43586410; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43666686; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43569510; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43646631; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF46_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43455344; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43700762; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43959314; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43448176; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43581432; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43948019; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43598970; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43819228; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46359136; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1221 to 1240 of 6872
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