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Collection's Items (Sorted by Submit Date in Descending order): 601 to 620 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Empenthrin-EZ_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99930546; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99938158; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99737179; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF65_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99747800; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF66_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99750717; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99746860; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99656868; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99989320; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF77_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00018966; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99990527; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF87_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99860172; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99768821; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF92_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99890932; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF93_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99907598; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF94_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99975492; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF96_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99900300; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF97_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99809023; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF98_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99810895; Eh | |||
 | 24-Mar-2025 | Fenhexamid_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1669.46274171; Eh | |||
 | 24-Mar-2025 | Fenhexamid_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1669.46064228; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 601 to 620 of 6276
