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A self-consistent Hubbard U density-functional theory approach to the addition-elimination reactions of hydrocarbons on bare FeO(+)

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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

A self-consistent Hubbard U density-functional theory approach to the addition-elimination reactions of hydrocarbons on bare FeO(+)

Graph Chatbot

Chattez avec Graph Search

Learning the electronic density of states in condensed matter

Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

Mechanisms of the Heterogeneously Catalyzed Reaction of CO2 Hydrogenation on Transition Metal Surfaces

Deterministic and Statistical Approaches to Quantum Chemistry

UV and IR Spectroscopy of Transition Metal–Crown Ether Complexes in the Gas Phase: Mn2+(benzo-15-crown-5)(H2O)0–2

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Synthesis and Application of Transition Metal Oxides as Oxygen Evolution Catalysts

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

Phonon origin and lattice evolution in charge density wave states

Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies

Deterministic and Statistical Approaches to Quantum Chemistry

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Mechanisms of the Heterogeneously Catalyzed Reaction of CO2 Hydrogenation on Transition Metal Surfaces

UV and IR Spectroscopy of Transition Metal–Crown Ether Complexes in the Gas Phase: Mn2+(benzo-15-crown-5)(H2O)0–2

Synthesis and Application of Transition Metal Oxides as Oxygen Evolution Catalysts

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies

Learning the electronic density of states in condensed matter

Phonon origin and lattice evolution in charge density wave states