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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Apr-2024 | TS12 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G** SDD GENECP | -11220.5667795; Eh | ||||
30-Apr-2024 | TS11 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G** SDD GENECP | -11220.5419705; Eh | ||||
30-Apr-2024 | TS10 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G** SDD GENECP | -11220.5458548; Eh | ||||
30-Apr-2024 | TS13 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G** SDD GENECP | -11104.8333140; Eh | ||||
30-Apr-2024 | SnBr4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-311G** SDD GENECP | -10300.2291676; Eh | ||||
30-Apr-2024 | IM4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-311G(D,P) | -805.020590977; Eh | ||||
30-Apr-2024 | IM3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-311G(D,P) | -804.953474446; Eh | ||||
30-Apr-2024 | TS1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G(D,P) | -920.678373173; Eh | ||||
30-Apr-2024 | IM12_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-311G** SDD GENECP | -11220.5896504; Eh | ||||
30-Apr-2024 | MeOSnBr4 | Wang-Yeuk, Kong | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311G** SDD GENECP | -10415.5090464; Eh |
Results 1011-1020 of 1082 (Search time: 0.002 seconds).