ioChem-BD Browse module - collection page
2_herbicides Collection home page
Share - copy and redistribute the material in any medium or format. Adapt - remix, transform, and build upon the material for any purpose, even commercially. The licensor cannot revoke these freedoms as long as you follow the license terms.
Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-6-516
No other publication derived
Browse
Collection's Items (Sorted by Submit Date in Descending order): 2641 to 2660 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | flazasulfuron_CONF128_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43718902; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF130_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43640759; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF131_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43602679; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF132_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43657996; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF133_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43630345; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF136_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43644495; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF137_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43633955; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF138_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43625872; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF140_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43614399; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF141_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43614298; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF142_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43599302; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF143_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43626869; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF149_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43812057; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF247_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83846590; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF249_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83841347; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF255_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83847722; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF256_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83842306; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF257_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83844968; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF261_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83846846; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF280_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83894706; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2641 to 2660 of 5986
Discover
Calculation type