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Collection's Items (Sorted by Submit Date in Descending order): 1741 to 1760 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Halfenprox_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09917991; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF373_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09661690; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF392_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10029536; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09786887; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09824633; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09733062; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09760187; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF485_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09886019; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF499_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09944778; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09703465; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF509_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09707233; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF51_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09766755; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF512_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09885393; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF514_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09801741; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF516_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09901833; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF519_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09889284; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10083652; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF611_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09919956; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF613_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09905735; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10037136; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1741 to 1760 of 6276
