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Collection's Items (Sorted by Submit Date in Descending order): 1761 to 1780 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Halfenprox_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10056916; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09862344; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09698090; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09935412; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09965202; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09987770; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF93_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10134224; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF94_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10016642; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF97_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09851820; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF114_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51948068; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF121_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51962632; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF123_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51871540; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF126_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51852011; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF127_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51833022; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF129_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51797075; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51571194; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF136_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51665226; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF139_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51888149; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51603158; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RR_CONF140_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51676927; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1761 to 1780 of 6276
