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Dynamical calculation of direct muon-transfer rates from thermalized muonic hydrogen to C6+ and O8+
(2000-08-01)
Moun-transfer reactions from muonic hydrogen to carbon and oxygen nuclei employing a full quantum-mechanical few-body description of rearrangement scattering were studied by solving the Faddeev-Hahn-type equations using ...
Electronic structure of polyacetylene with bonded oxygen
(1992-09-01)
In this work we have studied the electronic structure of finite polyacetylene chains with structural oxygen-bonding models following data from 13C-NMR experiments. We have used a combination of Austin Method One and ...
The role of protein dynamics and thermal fluctuations in regulating cytochrome c/cytochrome c oxidase electron transfer
(Elsevier Science, 2014-02)
In this overview we present recent combined electrochemical, spectroelectrochemical, spectroscopic and computational studies from our group on the electron transfer reactions of cytochrome c and of the primary electron ...
Electron Interactions with Disulfide Bridges
(Recife, 2012-11-11)
Because of its electronic properties, sulfur plays a major role in a variety of metabolic processes and, more in general, in the chemistry of life. In particular, S-S bridges between cysteines are present in the amino acid ...
Enzymeless biosensors: A novel area for the development of amperometric sensors.
(Soc Brasileira QuimicaSao PauloBrasil, 2002)
Charge accumulation and electron transfer kinetics in Geobacter sulfurreducens biofilms
(Royal Society of Chemistry, 2012-03)
Electroactive bacteria can use a polarized electrode as final electron acceptor, allowing the use of electrochemical techniques for a very accurate quantification of its respiration rate. Biofilm cell respiration has been ...
Wave-Function Symmetry Control of Electron-Transfer Pathways within a Charge-Transfer Chromophore
(American Chemical Society, 2020-09)
Despite a diverse manifold of excited states available, it is generally accepted that the photoinduced reactivity of charge-transfer chromophores involves only the lowest-energy excited state. Shining a visible-light laser ...
Electron transfer pathways from quantum dynamics simulations
(American Institute of Physic, 2020-12)
This work explores the possibility of simulating an electron transfer process between a donor and an acceptor in real time using time-dependent density functional theory electron dynamics. To achieve this objective, a ...