In this thesis we apply the R-matrix method to study low-energy (<15 eV) elastic and inelastic electron collisions with the diazine molecules (pyrazine, pyrimidine and pyridazine), (2 and 4) oxo-pyrimidines and the RNA nucleobase uracil. We use these molecules as models for the pyrimidinic DNA nucleobases. The main goal of this work is to study resonance formation in these targets. We test various standard scattering models (Static Exchange, Static Exchange plus Polarization, Close-Coupling) to identify those that produce the most accurate results; we also study simplified versions of these models that allow us to provide detailed insights into the resonance formation. We compare our elastic (for pyrazine and pyrimidine) and inelastic (for ...
We present detailed ab initio results for resonance formation in low energy electron scattering from...
We present theoretical elastic and electronic excitation cross sections and experimental electronic ...
We present detailed ab initio scattering calculations using the R-matrix method for electron collisi...
In this thesis we apply the R-matrix method to study low-energy « 15 eV) elastic and inelastic elect...
We present results of ab-initio scattering calculations for electron collisions with pyrazine using ...
We report cross sections for low-energy elastic electron collisions with the diazabenzene molecule p...
Detailed investigation of the three low-energy resonances seen in electron scattering by the diazabe...
We present a comprehensive ab-initio study of electron collisions with pyrazine, pyrimidine, and pyr...
We measured differential cross sections for elastic (rotationally integrated) electron scattering on...
We report on results of computational studies of the interaction of slow electrons with the purine a...
State-of-the art computational studies of electron collisions with molecules and small molecular clu...
We present a detailed analysis of the effect of the well known third π ∗ resonance on the angular be...
We measured differential cross sections for electron-impact electronic excitation of pyrimidine, bot...
We present R-matrix calculations for electron scattering from microhydrated pyridine. We studied the...
Resonances play an important role in a number of atomic and molecular processes. Identifying and cha...
We present detailed ab initio results for resonance formation in low energy electron scattering from...
We present theoretical elastic and electronic excitation cross sections and experimental electronic ...
We present detailed ab initio scattering calculations using the R-matrix method for electron collisi...
In this thesis we apply the R-matrix method to study low-energy « 15 eV) elastic and inelastic elect...
We present results of ab-initio scattering calculations for electron collisions with pyrazine using ...
We report cross sections for low-energy elastic electron collisions with the diazabenzene molecule p...
Detailed investigation of the three low-energy resonances seen in electron scattering by the diazabe...
We present a comprehensive ab-initio study of electron collisions with pyrazine, pyrimidine, and pyr...
We measured differential cross sections for elastic (rotationally integrated) electron scattering on...
We report on results of computational studies of the interaction of slow electrons with the purine a...
State-of-the art computational studies of electron collisions with molecules and small molecular clu...
We present a detailed analysis of the effect of the well known third π ∗ resonance on the angular be...
We measured differential cross sections for electron-impact electronic excitation of pyrimidine, bot...
We present R-matrix calculations for electron scattering from microhydrated pyridine. We studied the...
Resonances play an important role in a number of atomic and molecular processes. Identifying and cha...
We present detailed ab initio results for resonance formation in low energy electron scattering from...
We present theoretical elastic and electronic excitation cross sections and experimental electronic ...
We present detailed ab initio scattering calculations using the R-matrix method for electron collisi...