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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Nov-2019 | TS-3e-3H | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.21884799; 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 | |||
 | 18-Aug-2020 | SiW11Ni-NH2OH | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4270.37610380; Eh | |||
 | 18-Aug-2020 | SiW11Fe-NH2OH | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4224.53789801; Eh | |||
 | 18-Aug-2020 | SiW11Fe-NH3 | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4225.81596228; Eh | |||
 | 18-Aug-2020 | SiW11Ni-NHOH | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4269.73475960; Eh | |||
 | 18-Aug-2020 | SiW11Fe-NH4 | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4226.28314465; Eh | |||
 | 18-Aug-2020 | SiW11Fe-2NO | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4352.42074965; Eh | |||
 | 18-Aug-2020 | SiW11Ni-HNO | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4269.11017373; Eh | |||
 | 18-Aug-2020 | SiW11Ni-NO | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-31G(D,P) LANL2DZ GEN | -4268.50917489; Eh |
Results 61-70 of 78 (Search time: 0.002 seconds).