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Collection's Items (Sorted by Submit Date in Descending order): 621 to 640 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | epoxiconazole_RR_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.23152969; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RR_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.23263245; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RR_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.22247302; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RR_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.22252098; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RR_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.22300576; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RR_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.22195152; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RR_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.22261949; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RR_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.22357254; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RR_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.22266232; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RR_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.22442615; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RS_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1455.20240087; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RS_CONF10_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1455.20174495; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RS_CONF13_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1455.20381038; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RS_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1455.20401306; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RS_CONF16_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1455.20403146; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RS_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1455.20468432; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RS_CONF6_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1455.20350210; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RS_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1455.20363448; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RS_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1455.20500038; Eh | |||
 | 28-Mar-2025 | epoxiconazole_RS_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1455.22643249; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 621 to 640 of 6872
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