Publikationen von Van Anh Tran
Alle Typen
Zeitschriftenartikel (4)
2023
Zeitschriftenartikel
127 (31), S. 6447 - 6466 (2023)
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 2021
Zeitschriftenartikel
17 (10), S. 6366 - 6386 (2021)
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 2020
Zeitschriftenartikel
118 (19-20), e1797916 (2020)
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
Zeitschriftenartikel
153 (5), 054105 (2020)
Double-hybrid density functional theory for g-tensor calculations using gauge including atomic orbitals. The Journal of Chemical Physics Hochschulschrift - Doktorarbeit (1)
2023
Hochschulschrift - Doktorarbeit
Response properties of open shell molecules and their application in studies of electron paramagnetic resonance parameters. Dissertation, 163 S., Rheinische Friedrich-Wilhelms-Universität, Bonn (2023)