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Collection's Items (Sorted by Submit Date in Descending order): 2081 to 2100 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RSR_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16777393; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF167_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16824557; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17125454; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF176_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16929521; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF183_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16740461; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16894420; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF212_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16796005; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF214_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16946639; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17007819; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF241_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16825683; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF247_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16835761; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16899578; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF263_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16756299; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF293_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16503191; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF303_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16638703; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF315_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16857724; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17027760; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17018793; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17082092; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16954828; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2081 to 2100 of 6872
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