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Collection's Items (Sorted by Submit Date in Descending order): 1181 to 1200 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpropimorph_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07915562; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07902378; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07906496; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07990445; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08308304; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07643825; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08319145; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08328103; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08276231; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08316955; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08293799; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07707879; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07918424; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07914830; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07941013; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07653870; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07922627; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08274063; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF66_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08268024; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08256689; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1181 to 1200 of 6872
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