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Collection's Items (Sorted by Submit Date in Descending order): 3161 to 3180 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18227458; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF272_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18563242; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF289_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18496483; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF29_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18212023; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF290_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18520981; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF298_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18521594; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF299_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18537271; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18220453; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF301_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18465708; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF303_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18620663; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF304_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18623009; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF308_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18601976; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF309_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18481747; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF310_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18602402; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF311_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18475470; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF312_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18460999; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF317_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18545543; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18206399; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF321_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18557492; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF336_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18536453; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3161 to 3180 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum