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Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Empenthrin-EZ_CONF255_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99482262; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99359747; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF367_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99329831; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF369_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99299711; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99397092; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF383_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99304600; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF384_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99251466; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF385_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99327851; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99358638; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF412_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99336681; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF413_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99323497; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF429_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99322246; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF445_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99263808; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99578428; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF55_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99340700; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99547841; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99332723; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99515815; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99563322; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99625393; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 6276
