Yannick J. Franzke

TURBOMOLE: Modular program suite for <i>ab initio</i> quantum-chemical and condensed-matter simulations

Sree Ganesh Balasubramani, Guo P. Chen, Sonia Coriani et al. · The Journal of Chemical Physics · 2020 · 1.1K citations · Full text

Error-consistent segmented contracted all-electron relativistic basis sets of double- and triple-zeta quality for NMR shielding constants

Yannick J. Franzke, Robert S. Treß, Tobias M. Pazdera et al. · Physical Chemistry Chemical Physics · 2019 · 129 citations · Full text

Shielding Constants, Engineering, Physics +15

Efficient implementation of one- and two-component analytical energy gradients in exact two-component theory

Yannick J. Franzke, Nils Middendorf, Florian Weigend · The Journal of Chemical Physics · 2018 · 108 citations

Numerical Analysis, Spectral Theory, Engineering +20

Substantial π-aromaticity in the anionic heavy-metal cluster [Th@Bi12]4−

Armin R. Eulenstein, Yannick J. Franzke, Niels Lichtenberger et al. · Nature Chemistry · 2020 · 99 citations · Full text

Inorganic Chemistry, Natural Sciences, Cluster Chemistry +3

NMR Shielding Tensors and Chemical Shifts in Scalar-Relativistic Local Exact Two-Component Theory

Yannick J. Franzke, Florian Weigend · Journal of Chemical Theory and Computation · 2019 · 88 citations