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Publications associées (28)

Theory And Practice Of Uncommon Molecular Electronic Configurations

Anne-Clémence Corminboeuf, Ganna Gryn'ova

The electronic conﬁguration of the molecule is the foundation of its structure and reactivity. The spin state is one of the key characteristics arising from the ordering of electrons within the molecule’s set of orbitals. Organic molecules that have open-s ...

Wiley-Blackwell2015

Composition dependence of spin transition in (Mg,Fe)SiO3 bridgmanite

Philippe Gillet, James Badro, Susannah McGregor Dorfman

Spin transitions in (Mg,Fe)SiO3 bridgmanite have important implications for the chemistry and dynamics of Earth's lower mantle, but have been complex to characterize in experiments. We examine the spin state of Fe in highly Fe-enriched bridgmanite synthesi ...

Mineralogical Society of America2015

A Vibronic Coupling Hamiltonian to Describe the Ultrafast Excited State Dynamics of a Cu(I)-Phenanthroline Complex

Ursula Röthlisberger, Ivano Tavernelli, Thomas James Penfold, Gloria Capano

We present a model Hamiltonian to study the nonadiabatic dynamics of photoexcited Cu(dmp)(2), (dmp = 2,9-dimethyl-1,10-phenanthroline). The relevant normal modes, identified by the magnitude of the first order coupling constants, correspond closely to ...

2014

Fragmentation mechanism of UV-excited peptides in the gas phase

Thomas Rizzo, Oleg Boyarkine, Michael Zachary Kamrath, Aleksandra Zabuga

We present evidence that following near-UV excitation, protonated tyrosine- or phenylalanine–containing peptides undergo intersystem crossing to produce a triplet species. This pathway competes with direct dissociation from the excited electronic state and ...

American Institute of Physics2014

Dynamics of UV-excited, protonated peptides in the gas phase

Aleksandra Zabuga

The scope of this thesis is the electronically excited state dynamics of protonated peptides and their photofragmentation mechanism. UV radiation induces fragmentation of biological molecules and might cause various diseases, such as cataracts or skin canc ...

EPFL2014

Photobleaching Kinetics and Time-Integrated Emission of Fluorescent Probes in Cellular Membranes

Daniel Sage

Since the pioneering work of Hirschfeld, it is known that time-integrated emission (TiEm) of a fluorophore is independent of fluorescence quantum yield and illumination intensity. Practical implementation of this important result for determining exact prob ...

Mdpi Ag2014

Exact Diagonalization of Heisenberg SU(N) Models

Frédéric Mila, Pierre Marcel Nataf

Building on advanced results on permutations, we show that it is possible to construct, for each irreducible representation of SU(N), an orthonormal basis labeled by the set of standard Young tableaux in which the matrix of the Heisenberg SU(N) model (the ...

2014

Orbital occupancies and the putative j(eff)=1/2 ground state in Ba2IrO4: A combined oxygen K-edge XAS and RIXS study

Henrik Moodysson Rønnow

The nature of the electronic ground state of Ba2IrO4 has been addressed using soft x-ray absorption and inelastic scattering techniques in the vicinity of the oxygen K edge. From the polarization and angular dependence of x-ray absorption spectroscopy (XAS ...

Amer Physical Soc2014

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