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Collection's Items (Sorted by Submit Date in Descending order): 221 to 240 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | difenoconazole_RR_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69555702; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69662721; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69788740; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69560672; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69691260; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69511521; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69582419; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69589376; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69548577; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69770368; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69696102; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69785894; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69805689; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69716642; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69629629; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69637527; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69714504; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69727662; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69737767; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69605951; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 221 to 240 of 6872
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