Visualitzant Articles publicats (D-Q) per matèria "Electrònica molecular"

Charge transfer in DNA: hole charge is confined to a single base pair due to solvation effects

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Estimates of electronic coupling for excess electron transfer in DNA

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Estimation of electronic coupling in π -stacked donor-bridge-acceptor systems: correction of the two-state model

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Two complementary molecular energy decomposition schemes: the Mayer and Ziegler-Rauk methods in comparison

Conformations of poly{G}-poly{C} π stacks with high hole mobility

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Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study

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Distance dependence of triplet energy transfer in water and organic solvents: A QM/MD study

Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate

How Many Electrons Does a Molecular Electride Hold?