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Collection's Items (Sorted by Submit Date in Descending order): 1981 to 2000 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RRR_CONF53_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15769097; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF54_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15736000; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF58_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15713474; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF59_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15736678; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF61_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15696405; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF78_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15749253; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF79_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15655541; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF80_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15764918; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF82_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15856716; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16090164; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF91_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15750900; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF13_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13923673; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13792122; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF30_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14287256; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14106341; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13912337; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16486224; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16472114; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16456589; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16455936; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1981 to 2000 of 6872
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