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Collection's Items (Sorted by Submit Date in Descending order): 1901 to 1920 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_trans_CONF67_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53167112; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF68_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52867930; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF71_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53204411; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF72_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52879697; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF73_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53245465; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53013920; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF81_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53084376; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF85_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53139576; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF86_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53021902; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52759291; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF91_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53064384; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF95_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53034721; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF99_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53065490; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14453001; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF10_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14187140; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF110_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14288949; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF115_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13978370; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF17_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14205928; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14092987; Eh | |||
 | 28-Mar-2025 | ipconazole_RRR_CONF20_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14299930; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1901 to 1920 of 6872
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