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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 | siw11pt-opt-1-freq | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31G(D,P) LANL2DZ GEN | -4166.08376540; Eh | ||||
9-Feb-2021 | siw11pt-5H-4e-H2-S1-freq | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31G(D,P) LANL2DZ GEN | -4168.97030752; Eh |
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