Daniel Graf

8PUBLICATIONS
14CO-AUTHORS
Metal organic frameworksTheoretical quantum chemistryChemical thermodynamics and energetics
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Publications (8)

|Jul 11, 2026
Tuning Connectivity in Hybrid Organic-Inorganic Antimony Halides through Reactant Concentration Effects.

|Apr 23, 2026
A Benchmark and Basis-Set Extrapolation Study of Hyperfine Coupling Constants from the Random Phase Approximation and σ-Functionals.

|Aug 02, 2024
Targeting spectroscopic accuracy for dispersion bound systems from ab initio techniques: Translational eigenstates of Ne@C70.

K Panchagnula, D Graf, E R Johnson

|Mar 11, 2024
Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression.

K Panchagnula, D Graf, F E A Albertani

|Nov 03, 2023
Corrected density functional theory and the random phase approximation: Improved accuracy at little extra cost.

Daniel Graf, Alex J W Thom

|Aug 01, 2023
Simple and Efficient Route toward Improved Energetics within the Framework of Density-Corrected Density Functional Theory.

Daniel Graf, Alex J W Thom

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Frequent Collaborators

4 joint publications

Christian Ochsenfeld

4 joint publications

Alex J W Thom

2 joint publications

F Sacchetta

2 joint publications

A Dreuw