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Collection's Items (Sorted by Submit Date in Descending order): 1521 to 1540 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fluvalinate-tau_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11917478; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11640894; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11672345; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11735446; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11736616; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11839647; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11949140; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11793558; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11770695; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11731947; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11671877; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF89_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11737098; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF94_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11640707; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF97_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11895275; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09035828; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF100_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09233673; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF113_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09108116; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF117_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.08976667; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF133_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09268473; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF148_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -3928.09282600; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1521 to 1540 of 6276
