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Collection's Items (Sorted by Submit Date in Descending order): 1961 to 1980 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RRR_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15847455; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF108_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15734284; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF110_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15747346; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF117_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15652028; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15904157; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF174_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15901063; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15674667; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15782345; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF20_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15920737; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF21_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15885075; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF22_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15820429; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF257_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15527362; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF26_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15362569; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF30_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15641348; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF34_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15709746; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF37_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15830538; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF39_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15945804; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF46_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15770661; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF49_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15814478; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15991622; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1961 to 1980 of 6872
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