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Collection's Items (Sorted by Submit Date in Descending order): 1941 to 1960 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RRR_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17027373; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16879666; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF257_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16614141; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16422234; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16849234; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16938559; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17019797; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17120976; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16859226; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16849825; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16999771; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16877304; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16857961; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16860174; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16905623; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16888934; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17120265; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF90_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16702383; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16810259; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16087381; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1941 to 1960 of 6872
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