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Collection's Items (Sorted by Submit Date in Descending order): 1821 to 1840 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Imiprothrin_RR_CONF317_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51714572; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF318_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51706584; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF321_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51797441; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF323_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51779184; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF325_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51731193; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF327_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51705093; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51604731; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51522348; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51529393; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51608497; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF42_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51548423; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51567737; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF59_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51521886; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51888835; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF95_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51528834; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF96_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51784968; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF101_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54518707; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF105_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54525958; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54644769; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54540390; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1821 to 1840 of 6276
