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Collection's Items (Sorted by Submit Date in Descending order): 2121 to 2140 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Imiprothrin_RS_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53606656; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53714756; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53613983; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53510258; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53846364; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53531592; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53528413; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53570461; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53514611; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53520571; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53687611; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53692251; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07641693; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07419134; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF107_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07930580; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF108_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07448824; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07462698; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF113_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07756075; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF114_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07750570; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF115_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1590.07896123; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2121 to 2140 of 6276
