Eva Perlt

Friedrich Schiller University Jena

Germany

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Articles (7)

Year:

2023

Year:

2023

Brønsted acidity is investigated from a new perspective by using nuclear electronic orbital methods. The orbital energies of the proton wavefunction are related to acid strength in analogy to the Koopmans' theorem for electrons.

Year:

2023

Year:

2022

Year:

2022

Year:

2021

Year:

2021

Collaborators (5)

Barbara Kirchner

Professor

University of Bonn

GERMANY

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Alessandro Scarso

Full professor in Organic Chemistry

Università Ca' Foscari

ITALY

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Marek Sierka

Friedrich Schiller University Jena

GERMANY

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Tim Schrader

Friedrich Schiller University Jena

GERMANY

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Torsten Fritz

Full professor

Friedrich Schiller University Jena

GERMANY

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Eva Perlt

Research Interests

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Articles (7)

H2Open – Guest Editorial

Performance of Common Density Functionals for Excited States of Tetraphenyldibenzoperiflanthene

Koopmans' theorem for acidic protons

The Ionic Product of Water in the Eye of the Quantum Cluster Equilibrium

Benchmarking the Computational Costs and Quality of Vibrational Spectra from Ab Initio Simulations

Strong Ferromagnetic Exchange Coupling and Single-Molecule Magnetism in MoS43–-Bridged Dilanthanide Complexes

Molecular Orientation at the Squalene/Air Interface from Sum Frequency Generation Spectroscopy and Atomistic Modeling

Collaborators (5)

Barbara Kirchner

Alessandro Scarso

Marek Sierka

Tim Schrader

Torsten Fritz

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