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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | prochloraz_CONF241_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64136604; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF239_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64120683; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF333_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64121007; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF340_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63752847; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF416_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63811418; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF409_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64015766; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF411_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63815742; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF425_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63798280; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF430_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63898367; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF502_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63886114; Eh |
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