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Collection's Items (Sorted by Submit Date in Descending order): 2261 to 2280 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Kadethrin_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09403668; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09398887; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09489910; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09419941; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF84_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09412631; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09419428; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09654040; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09448881; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF89_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09423407; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09432554; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF90_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09343492; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF91_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09332242; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF92_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09322547; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF94_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09321018; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF95_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09461939; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF97_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09308468; Eh | |||
 | 24-Mar-2025 | Methoxychlor_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2149.84394274; Eh | |||
 | 24-Mar-2025 | Methoxychlor_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2149.84390200; Eh | |||
 | 24-Mar-2025 | Methoxychlor_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2149.84336985; Eh | |||
 | 24-Mar-2025 | Methoxychlor_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2149.84370460; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2261 to 2280 of 6276
