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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Nov-2019 | H6PtW6O24(3e_3H)-O | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.27501553; Eh | |||
 | 12-Nov-2019 | H2-S3-from-_H6PtW6O24_4e_4H(Pt) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.86196562; Eh | |||
 | 12-Nov-2019 | H6PtW6O24(1e_1H) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2336.10393073; Eh | |||
 | 12-Nov-2019 | H6PtW6O24(4e_4H-Pt) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.82414427; Eh | |||
 | 12-Nov-2019 | H2-from-_H6PtW6O24__3e_3H(Pt) | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.26968539; Eh | |||
 | 1-Nov-2019 | H6PtW6O24(4e_4H)-O | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.81974956; Eh | |||
 | 12-Nov-2019 | H6PtW6O24(3e_3H-O) | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.27501553; 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 | 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 | |||
 | 13-Jun-2022 | /Electronic_structure/DFs COF-Co_quartet_M06 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM06 | DEF2TZVP DEF2SVP GEN | -2527.84158608; Eh |
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