Ralph Gebauer

6PUBLICATIONS
13CO-AUTHORS
Chemical thermodynamics and energeticsStructural properties of condensed matterTransition metal chemistryColloid and surface chemistryElectronic and magnetic properties of condensed matter; superconductivity
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Publications (6)

|Aug 13, 2025
Acid-Base Chemistry of Short Hydrogen Bonds: A Tale of Schrödinger's Cat in Glutamine-Derived Crystals.

Muhammad Nawaz Qaisrani, Nandha Kumar, Christian Dreßler

|Apr 18, 2024
Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method.

Gonzalo Díaz Mirón, Carlos R Lien-Medrano, Debarshi Banerjee

|Feb 19, 2024
How spin state and oxidation number of transition metal atoms determine molecular adsorption: a first-principles case study for NH3.

Hua-Jian Tan, Rutong Si, Xi-Bo Li

|Jan 22, 2024
The Role of Water Molecules on Polaron Behavior at Rutile (110) Surface: A Constrained Density Functional Theory Study.

Yun-Bo Li, Rutong Si, Bo Wen

|Jan 18, 2024
Biaxial compressive strain enhances calcium binding and mobility on two-dimensional Sc2C: a density functional theory investigation.

Darwin B Putungan, Christian Loer T Llemit, Alexandra B Santos-Putungan

|Jul 14, 2023
The Oxygen Evolution Reaction at MoS2 Edge Sites: The Role of a Solvent Environment in DFT-Based Molecular Simulations.

Estefania German, Ralph Gebauer

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Frequent Collaborators

2 joint publications

Xiao-Lin Wei

2 joint publications

Wen-Jin Yin

2 joint publications

Ali Hassanali

1 joint publications

Estefania German