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Collection's Items (Sorted by Submit Date in Descending order): 2221 to 2240 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Kadethrin_CONF167_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09453790; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF169_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09275665; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09595569; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF172_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09498428; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF173_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09585634; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF174_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09443099; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF176_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09469596; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF177_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09342028; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF179_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09769284; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09592267; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF181_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09474749; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF183_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09562372; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF188_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09367684; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09416606; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF195_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09655219; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF198_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09642711; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09294226; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09291553; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09268683; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF217_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09556107; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2221 to 2240 of 6276
