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Collection's Items (Sorted by Submit Date in Descending order): 301 to 320 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Cyphenothrin_RS_CONF141_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32590826; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF142_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32623258; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF145_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32604105; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF146_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32602925; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF149_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32609938; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32635242; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF150_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32607168; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32879487; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32876508; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32876101; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32887245; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32711016; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32851955; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32862876; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32799047; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32828104; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32882659; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32814926; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32841684; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32832237; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 301 to 320 of 6276
