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DOI: 10.19061/iochem-bd-6-516
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Collection's Items (Sorted by Submit Date in Descending order): 2321 to 2340 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93348130; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93361664; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93365459; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93399615; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93274027; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93401275; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93365070; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93358379; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93452666; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93448892; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93413504; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93359147; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93303084; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93348028; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93271512; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93404995; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93405682; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93419648; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93454825; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93443924; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2321 to 2340 of 5986
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