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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 18-Jan-2023 | methiozolin_CONF119_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18483863; Eh | |||
![]() | 18-Jan-2023 | methiozolin_CONF117_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18344999; Eh | |||
![]() | 18-Jan-2023 | methiozolin_CONF163_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18620453; Eh | |||
![]() | 18-Jan-2023 | methiozolin_CONF165_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18537017; Eh | |||
![]() | 18-Jan-2023 | methiozolin_CONF158_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18490689; Eh | |||
![]() | 18-Jan-2023 | methiozolin_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18179610; Eh | |||
![]() | 18-Jan-2023 | methiozolin_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18222606; Eh | |||
![]() | 18-Jan-2023 | methiozolin_CONF138_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18410286; Eh | |||
![]() | 18-Jan-2023 | methiozolin_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18236550; Eh | |||
![]() | 18-Jan-2023 | methiozolin_CONF123_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.17769330; Eh |
Results 11-20 of 884 (Search time: 0.002 seconds).