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Collection's Items (Sorted by Submit Date in Descending order): 1701 to 1720 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Halfenprox_CONF147_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09861528; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF150_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09880561; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF156_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09923345; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF159_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10060377; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09762366; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF160_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09873302; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF163_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09713412; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF168_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09851272; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09855008; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF173_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09995265; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09891373; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF205_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09877282; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09919835; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF217_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09827641; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF218_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09914264; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10081482; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09919312; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF231_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09879281; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF235_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09898902; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF247_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09897855; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1701 to 1720 of 6276
