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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Sep-2022 | iodosulfuron_CONF135_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.19252125; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF136_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16370043; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.19242491; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF137_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16377428; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF137_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.19217238; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF138_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16376930; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF138_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.19200992; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF140_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16383355; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF143_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16373220; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF144_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16382115; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF144_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.19213525; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF145_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16372558; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF146_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16379007; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF146_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.19232107; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF147_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16374083; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF147_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.19191944; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF148_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16376553; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF149_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16373208; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF150_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.16370491; Eh | ||||
9-Sep-2022 | iodosulfuron_CONF150_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1963.19197083; Eh |