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- W2009955202 abstract "The platinum–ethylene binding energy in Pt(PH3)2(C2H4) has been calculated with a series of basis sets of increasing size in order to try and resolve a discrepancy with experiment. The Hay and Wadt valence basis set for platinum was systematically expanded through a triple-ζ extension and the addition of diffuse (s, p and d) and polarisation (f and g) functions. Energies were calculated at B3LYP, MP2 and CCSD(T) levels of theory, and in a G2(MP2)-like manner. The final platinum basis set, “LANL2TZ+(3f2g)”, was combined with the G3MP2 large basis set on the ligands to yield a final G3(MP2)//B3LYP-like energy. These basis-set enhancements provided little change in the theoretical binding energy. It was found that the structure of the phosphine ligand had a significant effect on the calculated binding energy and a proper treatment of the full Pt(PPh3)2(C2H4) structure resulted in an even greater discrepancy with experiment." @default.
- W2009955202 created "2016-06-24" @default.
- W2009955202 creator A5052630690 @default.
- W2009955202 date "2000-07-01" @default.
- W2009955202 modified "2023-10-11" @default.
- W2009955202 title "The platinum–ethylene binding energy in Pt(PL 3 ) 2 (C 2 H 4 )" @default.
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- W2009955202 cites W1982498867 @default.
- W2009955202 cites W1985607171 @default.
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- W2009955202 doi "https://doi.org/10.1016/s0166-1280(00)00414-0" @default.
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