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Collection's Items (Sorted by Submit Date in Descending order): 2381 to 2400 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | metconazole_trans_CONF75_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1360.82451718; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1360.82322145; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF9_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1360.82449462; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85040729; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85049454; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84884015; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85205676; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85180334; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84996637; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85272644; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85019008; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84838872; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85044619; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85002439; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84954895; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84939112; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84958560; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84959613; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85022834; Eh | |||
 | 28-Mar-2025 | metconazole_trans_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84759196; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2381 to 2400 of 6872
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