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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): 2601 to 2620 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | flazasulfuron_CONF136_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1850.41173790; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF137_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1850.41174147; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF138_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1850.41167381; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF139_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1850.41166527; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF140_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1850.41172409; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF141_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1850.41160123; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF142_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1850.41151436; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF143_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1850.41156721; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF144_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1850.41149343; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF115_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43952858; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF116_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43961530; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF118_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.44044979; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF119_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.44052259; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF122_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43706767; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF123_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43717777; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43681982; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF125_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43712307; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF126_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43724043; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF128_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43732948; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF130_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43841572; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2601 to 2620 of 5986
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