240 citations · 708 across the 30 of their papers we have counts for
4 papers · 1 filter
Electron-induced excitation, recombination and dissociation of molecular ions initiating the formation of complex organic molecules
J. Zs. Mezei, K. Chakrabarti, M. D. Epée Epée +7
We review the study of dissociative recombination and ro-vibrational excitation of diatomic and small polyatomic molecular ions initiating complex organic molecules formation. In p…
A Multi-Center Quadrature Scheme for the Molecular Continuum
Heman Gharibnejad, Nicolas Douguet, Jeppe Olsen +2
A common way to evaluate electronic integrals for polyatomic molecules is to use Becke's partitioning scheme [J. Chem. Phys.88, 2547 (1988)] in conjunction with overlapping grids c…
Theoretical study of radiative electron attachment to CN, C2H, and C4H radicals
Nicolas Douguet, Samantha Fonseca dos Santos, Maurice Raoult +3
A first-principle theoretical approach to study the process of radiative electron attachment is developed and applied to the negative molecular ions CN, CH, and CH$…
Theoretical rate of dissociative recombination of HCO and DCO ions
Nicolas Douguet, Viatcheslav Kokoouline, Chris H. Greene
The article presents an improved theoretical description of dissociative recombination of HCO and DCO ions with a low energy electron. In the previous theoretical study (Ph…