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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): 1341 to 1360 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07859861; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07689794; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07726524; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07847440; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07792627; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07775330; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF31_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07792939; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07666838; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07770301; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07857403; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07828766; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07798657; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07828054; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07746530; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07857282; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07838108; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07910549; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07828811; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07887399; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07793093; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1341 to 1360 of 5986
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