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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Nov-2019 | H6PtW6O24(3e_3H-Pt) | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.27899309; Eh | |||
 | 12-Nov-2019 | H6PtW6O24(2e_2H)-H2 | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2336.64659385; Eh | |||
 | 12-Nov-2019 | H6PtW6O24(2e_2H) | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2336.73112094; Eh | |||
 | 12-Nov-2019 | H4PtW6O24 | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2334.58229528; Eh | |||
 | 9-Feb-2021 | H2PtV6-opt-5e-S4 | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2870.28494851; Eh | |||
 | 9-Feb-2021 | H2PtV6-opt | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2869.84225742; Eh | |||
 | 9-Feb-2021 | PtV9-2H-2e | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2871.06209662; Eh | |||
 | 18-Aug-2020 | SiW11Fe-NO | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4222.69386174; Eh | |||
 | 18-Aug-2020 | SiW11Fe-S5 | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4092.92154557; Eh | |||
 | 18-Aug-2020 | SiW11Fe-NH2-H2O | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4225.16063215; Eh |
Results 31-40 of 51 (Search time: 0.001 seconds).