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Collection's Items (Sorted by Submit Date in Descending order): 2121 to 2140 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RSR_CONF110_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16015319; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF113_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15706631; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF114_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15711639; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF116_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15759091; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15575598; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF146_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15856493; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF149_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15874191; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF157_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15755015; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15570537; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF161_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15658210; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF164_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15681717; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF167_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15746909; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15956078; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF176_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15844776; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15942867; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF183_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15693539; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15852209; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF212_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15770595; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF214_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15764257; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF238_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15697177; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2121 to 2140 of 6872
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