593 citations
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Showing 2016 · physics.chem-phShow all
3 papers · 2 filters
physics.chem-ph2016★ 40 cited
An experimental and theoretical investigation of the C(1D) + D2 reaction
Kevin M. Hickson, Yury V. Suleimanov
In a previous joint experimental and theoretical study of the barrierless chemical reaction C(1D) + H2 at low temperatures (300-50 K) [K. M. Hickson, J.-C. Loison, H. Guo, Y. V. Su…
physics.chem-ph2016★ 4 cited
Quantum Tunneling Enhancement of the C + H2O and C + D2O Reactions at Low Temperature
Kevin M. Hickson, Jean-Christophe Loison, Dianailys Nunez-Reyes +1
Recent studies of neutral gas-phase reactions characterized by barriers show that certain complex forming processes involving light atoms are enhanced by quantum mechanical tunneli…
physics.chem-ph2016
Comment about the use of Monte-Carlo methodology for the representation of atomic electronic densities
Jean Hoarau, Jean-Claude Rayez
Representations of atomic orbitals based on Monte-Carlo (MC) approaches are not always correct when using various sets of orthogonal coordinates other than Cartesian coordinates. T…