Author 1 :- Shivraj Singh ( Research Scholar )
Author 2 :- Dr. Dharmendra Singh Tomar ( Professor )
Results from the use of the R-matrix approach and the UKRMol/UKRMol+ suites are presented to show state-of-the-art computational investigations of electron collisions with molecules and tiny molecular clusters. For mid-sized molecules like pyrimidine and thiophene, high-level estimates of electronic excitation cross sections and core-excited resonances, primarily of core-excited shape character, exhibit outstanding agreement with observation. An in-depth understanding of the impact of hydration on resonance formation—how the change in resonance energy relies on the properties of the hydrogen bond and the resonance under study—is becoming possible thanks to simpler computations. The software's applicability to interatomic coulombic electron capture, a little-studied phenomena, are finally shown.
