Results 81 to 90 of about 137,731 (206)

Effect of Protein Environment on the Shape Resonances of RNA Nucleobases: Insights from a Model System [PDF]

open access: yesarXiv
We have investigated the effect of amino acid environment on the nucleobase-centered anionic shape resonances in RNA by employing uracil as a model system. Uracil-glycine complexes have been used to model the RNA-protein interactions, and with glycine to model the proximity of amino acid residues to RNA nucleobases.
arxiv  

Exact-factorization-based surface-hopping without velocity adjustment [PDF]

open access: yesarXiv
While surface-hopping has emerged as a powerful method to simulate non-adiabatic dynamics in large molecules, the ad hoc nature of the necessary velocity adjustments and decoherence corrections in the algorithm somewhat reduces its reliability. Here we propose a new scheme that eliminates these aspects, by combining the nuclear equation from the ...
arxiv  

Splitting of Uracil Dimer by High-energy Electrons

open access: bronze, 1963
B Schmidt   +3 more
openalex   +1 more source

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