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Collection's Items (Sorted by Submit Date in Descending order): 101 to 120 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | bitertanol_RS_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77556862; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77563670; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77511047; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77545788; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77661198; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF36_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77432522; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF37_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77451451; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF41_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77476558; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF43_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77358432; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF45_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77462687; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF54_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77382534; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF55_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77402717; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF61_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77533677; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF67_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77554210; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF69_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77564293; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF71_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77477573; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF72_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77537108; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF82_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77555995; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF87_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77436073; Eh | |||
 | 28-Mar-2025 | bitertanol_RS_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1090.77678609; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 101 to 120 of 6872
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