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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): 1321 to 1340 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_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08284256; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08175802; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08218876; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08249142; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08163778; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08262031; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08098029; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08168305; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08167846; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08248839; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08211819; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08188804; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08198715; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08299949; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08251206; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08303515; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08147326; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08248352; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08265909; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.08257053; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1321 to 1340 of 5986
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