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Collection's Items (Sorted by Submit Date in Descending order): 1641 to 1660 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Halfenprox_CONF356_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11487747; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF357_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11452974; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF369_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11546351; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11416429; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF380_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11558699; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF384_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11579122; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF392_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11587852; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF393_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11435615; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF395_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11476048; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF401_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11490553; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11229568; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF418_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11518321; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF425_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11280278; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF429_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11646518; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF437_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11535343; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF443_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11463383; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11384993; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF454_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11511680; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF459_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11320522; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11222493; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1641 to 1660 of 6276
