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Collection's Items (Sorted by Submit Date in Descending order): 1141 to 1160 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpropimorph_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09116662; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09144007; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08995748; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09167134; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09176666; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09395834; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09115919; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09446484; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09455027; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09343310; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09317536; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09589687; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09131071; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09608169; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09593459; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09550715; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09384299; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09121257; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09090625; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09555446; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1141 to 1160 of 6872
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