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Collection's Items (Sorted by Submit Date in Descending order): 201 to 220 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Cyphenothrin_RR_CONF368_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09275903; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09235186; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF371_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09273909; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09219544; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF386_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09255798; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09191489; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF390_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09263768; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF394_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09330195; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF396_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09406814; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF399_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09312129; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09183631; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09171884; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF410_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09251938; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09193039; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09173951; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF441_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09239537; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09162114; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09379926; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09400619; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF583_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09274949; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 201 to 220 of 6276
