2 citations · 2 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 2 cited
Unexpected hydrogen dissociation in thymine: predictions from a novel coupled cluster theory
Eirik F. Kjønstad, O. Jonathan Fajen, Alexander C. Paul +6
The fate of thymine upon excitation by ultraviolet radiation has been the subject of intense debate over the past three decades. Today, it is widely believed that its ultrafast exc…
physics.chem-ph2024
X-ray Absorption Spectra for Aqueous Ammonia and Ammonium: Quantum Mechanical versus Molecular Mechanical Embedding Schemes
Sarai Dery Folkestad, Alexander C. Paul, Regina Paul +4
The X-ray absorption (XA) spectra of aqueous ammonia and ammonium are computed using a combination of coupled cluster singles and doubles (CCSD) with different quantum mechanical a…