1k citations · 1.3k across the 3 of their papers we have counts for
3 papers
physics.chem-ph2000★ 202 cited
Benchmark {\em ab initio} energy profiles for the gas-phase S2 reactions Y + CHX CHY + 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 S2 reactions Y + CHX CHY + X (where X,Y = F, Cl, Br), were studied using (variants on) the recent W1 and W2 {\…
physics.chem-ph1999★ 1k cited
Towards standard methods for benchmark quality ab initio thermochemistry --- W1 and W2 theory
Jan M. L. Martin, Glenisson de Oliveira
Two new schemes for computing molecular total atomization energies (TAEs) and/or heats of formation () of first-and second-row compounds to very high accuracy are prese…
physics.chem-ph1999★ 103 cited
Electron affinities of the first- and second- row atoms: benchmark ab initio and density functional calculations
Glenisson de Oliveira, Jan M. L. Martin, Frank de Proft +1
A benchmark ab initio and density functional (DFT) study has been carried out on the electron affinities of the first- and second-row atoms. The ab initio study involves basis sets…