Reference Label | Details |
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Parthiban 2001a | S. Parthiban, G. de Oliveira, and J. M. L. Martin, J. Phys. Chem. A 105, 895-904 (2001) Benchmark ab Initio Energy Profiles for the Gas-Phase SN2 Reactions Y- + CH3X - CH3Y + X- (X, Y = F, Cl, Br). Validation of Hybrid DFT Methods |
Parthiban 2002 | S. Parthiban, J. M. L. Martin, and J. F. Liebman, Mol. Phys. 100, 453-464 (2002) The Heats of Formation of the Haloacetylenes XCCY [X, Y = H, F, Cl]: Basis Set Limit ab initio Results and Thermochemical Analysis |