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Collection's Items (Sorted by Submit Date in Descending order): 401 to 420 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Empenthrin-EZ_CONF122_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99481784; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF124_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99499728; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF129_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99520741; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99312353; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF141_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99481190; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF143_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99517809; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF145_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99517469; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99315849; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF155_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99514161; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF191_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99446595; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF197_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99482688; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF198_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99447843; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF201_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99498035; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF205_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99156905; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99322445; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF222_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99495507; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF228_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99462506; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF237_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99484459; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF242_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99443258; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99377106; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 401 to 420 of 6276
