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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 1-Dec-2021 | TS59 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3539348; Eh | |||
![]() | 1-Dec-2021 | TS9 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3959771; Eh | |||
![]() | 1-Dec-2021 | TS734 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3184763; Eh | |||
![]() | 1-Dec-2021 | TS735 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.292838; Eh | |||
![]() | 1-Dec-2021 | TS229 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3130307; Eh | |||
![]() | 1-Dec-2021 | TS328 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3074278; Eh | |||
![]() | 1-Dec-2021 | TS106 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3545491; Eh | |||
![]() | 1-Dec-2021 | TS65 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.4119708; Eh | |||
![]() | 1-Dec-2021 | TS37 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3674161; Eh | |||
![]() | 1-Dec-2021 | TS4 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.4392627; Eh |
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