Browsing by Title
Showing results 260938 to 260957 of 317680
< previous
next >
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
7-Oct-2022 | meptyldinocap_CONF834_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16191326; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF836_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15486497; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF836_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15960142; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF837_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15485443; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF837_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15957575; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF838_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15484523; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF838_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15950030; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF839_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15913526; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF83_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15675630; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF83_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16209415; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF844_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15915305; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF845_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15741898; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF846_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15734306; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF846_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16140564; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF848_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.17210146; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF849_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15741824; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF849_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16136545; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF84_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15906453; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF84_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16345872; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF850_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15720550; Eh |