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Collection's Items (Sorted by Submit Date in Descending order): 561 to 580 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | dodemorph_cis_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06355724; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06535073; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF207_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06396151; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06567668; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06567651; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF224_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06351277; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06338044; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06464327; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF265_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06396147; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF31_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06399962; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06312830; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06376183; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06388095; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06389034; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06421142; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06345890; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06580345; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06462724; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06640256; Eh | |||
 | 28-Mar-2025 | dodemorph_cis_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -837.06539582; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 561 to 580 of 6872
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