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The role of proton transfer on mutations
Hydrogen bonds play a critical role in nucleobase studies as they encode genes, map
protein structures, provide stability to the base pairs, and are involved in spontaneous and …
protein structures, provide stability to the base pairs, and are involved in spontaneous and …
Tautomerism in porphycenes: analysis of rate-affecting factors
Double hydrogen transfer occurring in both ground and the lowest electronically excited
singlet states was studied for a series of 19 differently substituted porphycenes. The rates of …
singlet states was studied for a series of 19 differently substituted porphycenes. The rates of …
Entanglement and co-tunneling of two equivalent protons in hydrogen bond pairs
Z Smedarchina, W Siebrand… - The Journal of Chemical …, 2018 - pubs.aip.org
A theoretical study is reported of a system of two identical symmetric hydrogen bonds,
weakly coupled such that the two mobile protons can move either separately (stepwise) or …
weakly coupled such that the two mobile protons can move either separately (stepwise) or …
C Ash - 2022 - discovery.ucl.ac.uk
The premise of the work that was undertaken in this thesis is the use of mathematical
modelling techniques to solve fundamental questions in quantum chemistry. In particular …
modelling techniques to solve fundamental questions in quantum chemistry. In particular …
Transition dipole moment change through proton transfer in 2-mercapto-6-phenylpyridine-3-carbonitrile, computational chemistry study
Excitation energy transfer along molecular wires depends on the orientation of the transition
dipole moments of the neighboring chromophores. This transition dipole moment is changed …
dipole moments of the neighboring chromophores. This transition dipole moment is changed …