S. Parthiban

activity

20002005

most citedAssessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities

484 citations · 750 across the 5 of their papers we have counts for

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physics.chem-ph2000★ 202 cited

Benchmark {\em ab initio} energy profiles for the gas-phase S $_{N}$ 2 reactions Y $^{-}$ + CH $_{3}$ X $\to$ CH $_{3}$ Y + X $^{-}$ (X,Y = F,Cl,Br). Validation of hybrid DFT methods

Srinivasan Parthiban, Glênisson de Oliveira, Jan M. L. Martin

The energetics of the gas-phase S $_{N}$ 2 reactions Y $^{-}$ + CH $_{3}$ X $⟶$ CH $_{3}$ Y + X $^{-}$ (where X,Y = F, Cl, Br), were studied using (variants on) the recent W1 and W2 {\…

Benchmark {\em ab initio} energy profiles for the gas-phase SN​2 reactions Y− + CH3​X → CH3​Y + X− (X,Y = F,Cl,Br). Validation of hybrid DFT methods

Benchmark {\em ab initio} energy profiles for the gas-phase S $_{N}$ 2 reactions Y $^{-}$ + CH $_{3}$ X $\to$ CH $_{3}$ Y + X $^{-}$ (X,Y = F,Cl,Br). Validation of hybrid DFT methods