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Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin–orbit calculations of [Re(imidazole)(CO)3(phen)]+

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Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin–orbit calculations of [Re(imidazole)(CO)3(phen)]+

Graph Chatbot

Chat with Graph Search

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Large Orbital Moment of Two Coupled Spin-Half Co Ions in a Complex on Gold

First-principles study of the gap in the spin excitation spectrum of the CrI3 honeycomb ferromagnet

Charge ordering in Ir dimers in the ground state of Ba5AlIr2O11

Spinor GW /Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance

Importance of Long-Range Channel Sr Displacements for the Narrow Emission in Sr[Li2Al2O2N2]:Eu2+ Phosphor

Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid state

Electronic Structure and Topology of Novel Materials

Differential steric effects in the inelastic scattering of NO(X) plus Ar: spin-orbit changing transitions

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Importance of Long-Range Channel Sr Displacements for the Narrow Emission in Sr[Li2Al2O2N2]:Eu2+ Phosphor

Large Orbital Moment of Two Coupled Spin-Half Co Ions in a Complex on Gold

First-principles study of the gap in the spin excitation spectrum of the CrI3 honeycomb ferromagnet

Electronic Structure and Topology of Novel Materials

Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid state

Charge ordering in Ir dimers in the ground state of Ba5AlIr2O11

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Spinor GW /Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance

Differential steric effects in the inelastic scattering of NO(X) plus Ar: spin-orbit changing transitions