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Collection's Items (Sorted by Submit Date in Descending order): 2021 to 2040 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Imiprothrin_RR_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53934736; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53952858; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53896032; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53943082; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53889108; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF99_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53840822; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51332703; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51318994; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF103_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51619710; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51515882; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF109_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51484702; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51264256; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51804408; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF117_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51720534; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51212557; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF122_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51810159; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF126_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51471021; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF127_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51822093; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF130_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51555529; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF131_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51808512; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2021 to 2040 of 6276
