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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 | TS328 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3074278; Eh | ||||
1-Dec-2021 | PR251 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X; UCCSD | GEN AUG-CC-PVTZ | -269.0531961; Eh | ||||
1-Dec-2021 | PR409 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X; UCCSD | GEN AUG-CC-PVTZ | -270.3146575; Eh | ||||
1-Dec-2021 | TS149 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3823922; Eh | ||||
1-Dec-2021 | PR315 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X; UCCSD | GEN AUG-CC-PVTZ | -270.375131; Eh | ||||
1-Dec-2021 | CN | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X; UCCSD | GEN AUG-CC-PVTZ | -92.5699174; 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 | MIN396 | Garay Ruiz, Diego | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X; UCCSD | GEN AUG-CC-PVTZ | -362.3693047; Eh |
Results 1-10 of 35 (Search time: 0.002 seconds).