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Collection's Items (Sorted by Submit Date in Descending order): 521 to 540 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | dodemorph_cis_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07556056; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07623288; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07472213; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07504687; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07838765; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07370569; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF147_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07526627; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07876277; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF152_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07707106; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07777467; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF161_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07733150; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07506566; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07791208; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07523746; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07797115; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07565578; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07550846; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07555802; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07663150; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF265_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.07532643; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 521 to 540 of 6872
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