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Collection's Items (Sorted by Submit Date in Descending order): 501 to 520 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Empenthrin-EZ_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00976932; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF494_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00901668; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01266141; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01217376; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01019057; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01028638; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01048810; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01025086; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00993202; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01032902; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00927624; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01248627; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01263033; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01025189; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01201926; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF84_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01192268; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF87_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01185257; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF89_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01150585; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF93_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01191284; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01132385; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 501 to 520 of 6276
