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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 13-Jul-2023 | 1-B10I9Ar_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3456.99410771; Eh | |||
![]() | 13-Jul-2023 | 1-B10I9Kr_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -5683.27798161; Eh | |||
![]() | 13-Jul-2023 | 1-B10I9Xe_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3258.91142605; Eh | |||
![]() | 13-Jul-2023 | 2_-B10I9(H2O)_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3005.98292703; Eh | |||
![]() | 13-Jul-2023 | 2-B10I9(H2O)_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3005.98486667; Eh | |||
![]() | 13-Jul-2023 | 2-B10I9(OC)_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3042.81765062; Eh | |||
![]() | 13-Jul-2023 | 2-B10I9Kr_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -5683.28184154; Eh | |||
![]() | 13-Jul-2023 | 2-B10I9Xe_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3258.91440710; Eh | |||
![]() | 13-Jul-2023 | 2-B10I9_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -2929.42642290; Eh | |||
![]() | 13-Jul-2023 | 1-B10Cl9Xe_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -4720.90119405; Eh |
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