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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 1-Dec-2021 | TS55 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -363.0335604; Eh | |||
![]() | 1-Dec-2021 | TS66 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -363.0343632; Eh | |||
![]() | 1-Dec-2021 | TS528 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -362.9751714; Eh | |||
![]() | 1-Dec-2021 | TS454 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -362.9367997; Eh | |||
![]() | 1-Dec-2021 | TS167 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -362.9590808; Eh | |||
![]() | 1-Dec-2021 | TS468 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -362.9486557; Eh | |||
![]() | 1-Dec-2021 | TS190 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -363.018416; Eh | |||
![]() | 1-Dec-2021 | TS476 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -362.9745662; Eh | |||
![]() | 1-Dec-2021 | TS452 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -362.9813531; Eh | |||
![]() | 1-Dec-2021 | TS128 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X; RCCSD | GEN AUG-CC-PVTZ | -362.993761; Eh |
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