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Collection's Items (Sorted by Submit Date in Descending order): 181 to 200 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Cyphenothrin_RR_CONF214_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09163212; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF217_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09168899; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09208310; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF221_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09410023; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF224_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09132726; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF230_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09345871; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF235_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09153355; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF237_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09110752; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09353040; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF258_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09166888; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF270_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09115610; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF272_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09102419; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09175592; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF319_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09135176; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09358929; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF321_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09140794; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF329_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09014858; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09326060; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF352_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09386489; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF356_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09393872; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 181 to 200 of 6276
