484 citations · 750 across the 5 of their papers we have counts for
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physics.chem-ph2001★ 22 cited
The heats of formation of the haloacetylenes XCCY [X, Y = H, F, Cl]: basis set limit ab initio results and thermochemical analysis
Srinivasan Parthiban, Jan M. L. Martin, Joel F. Liebman
The heats of formation of haloacetylenes are evaluated using the recent W1 and W2 ab initio computational thermochemistry methods. These calculations involve CCSD and CCSD(T) coupl…
physics.chem-ph2001★ 42 cited
Fully ab initio atomization energy of benzene via W2 theory
S. Parthiban, J. M. L. Martin
The total atomization energy at absolute zero, (TAE) of benzene, CH, was computed fully {\em ab initio} by means of W2h theory as 1306.6 kcal/mol, to be compared with t…
physics.chem-ph2001★ 484 cited
Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities
S. Parthiban, Jan M. L. Martin
The performance of two recent {\em ab initio} computational thermochemistry schemes, W1 and W2 theory [J.M.L. Martin and G. de Oliveira, J. Chem. Phys. 111, 1843 (1999}], is assess…