Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | kasugamycin_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01696709; Eh | ||
 | kasugamycin_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01685001; Eh | ||
 | kasugamycin_CONF253_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01221124; Eh | ||
 | kasugamycin_CONF256_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01120217; Eh | ||
 | kasugamycin_CONF296_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01325337; Eh | ||
 | kasugamycin_CONF299_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01323483; Eh | ||
 | kasugamycin_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01355620; Eh | ||
 | kasugamycin_CONF431_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01211604; Eh | ||
 | kasugamycin_CONF432_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01219540; Eh | ||
 | kasugamycin_CONF462_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01225188; Eh | ||
 | kasugamycin_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01361369; Eh | ||
 | kasugamycin_CONF51_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01464377; Eh | ||
 | kasugamycin_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01466726; Eh | ||
 | kasugamycin_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.01470356; Eh | ||
 | kasugamycin_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06497960; Eh | ||
 | kasugamycin_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06486816; Eh | ||
 | kasugamycin_CONF256_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06276882; Eh | ||
 | kasugamycin_CONF312_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06091608; Eh | ||
 | kasugamycin_CONF413_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06174105; Eh | ||
 | kasugamycin_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06199871; Eh | ||
 | kasugamycin_CONF462_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06236904; Eh | ||
 | kasugamycin_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06187847; Eh | ||
 | kasugamycin_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06229105; Eh | ||
 | kasugamycin_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06274048; Eh | ||
 | kasugamycin_CONF596_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -1390.06160461; Eh |
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