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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): 2301 to 2320 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_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93743068; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93713012; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93734849; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93794646; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93780812; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93676556; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF87_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93668867; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93684790; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93217286; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93274872; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93304898; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93352185; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93231010; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93308223; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93315272; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93224956; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93322645; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93338530; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93376851; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93373096; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2301 to 2320 of 5986
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