
Publications of Van Anh Tran
All genres
Journal Article (4)
2023
Journal Article
Tran, V. A.; ; ; ; ; ; ; ; ; Neese, F. Dissecting the Molecular Origin of g-Tensor Heterogeneity and Strain in Nitroxide Radicals in Water: Electron Paramagnetic Resonance Experiment Versus Theory. The Journal of Physical Chemistry A 2023, 127, 6447–6466.
2021
Journal Article
Tran, V. A.; ; ; ; ; ; Neese, F.; A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine Constants of Nitroxide Probes in Water. Journal of Chemical Theory and Computation 2021, 17, 6366–6386.
; 2020
Journal Article
Auer, A. A.; Tran, V. A.; ; Stoychev, G. L.; ; Neese, F. A Case Study of Density Functional Theory and Domain-Based Local Pair Natural Orbital Coupled Cluster for Vibrational Effects on EPR Hyperfine Coupling Constants: Vibrational Perturbation Theory Versus Ab Initio Molecular Dynamics. Molecular Physics 2020, 118, e1797916.
Journal Article
Tran, V. A.; Neese, F. Double-Hybrid Density Functional Theory for g-Tensor Calculations Using Gauge Including Atomic Orbitals. The Journal of Chemical Physics 2020, 153, 054105.
Thesis - PhD (1)
2023
Thesis - PhD
Tran, V. A. Response Properties of Open Shell Molecules and their Application in Studies of Electron Paramagnetic Resonance Parameters. PhD Thesis, Rheinische Friedrich-Wilhelms-Universität, Bonn, 2023.