Search filters

List of works by Yannick J Franzke

A local hybrid exchange functional approximation from first principles

scientific article published in 2022

Assessing the Accuracy of Local Hybrid Density Functional Approximations for Molecular Response Properties

scientific article published on 29 April 2021

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

scientific article published on 18 July 2019

Hyperfine Coupling Constants in Local Exact Two-Component Theory

scientific article published on 20 December 2021

Low-Valent Group 14 Phosphinidenide Complexes [({SIDipp}P)2 M] Exhibit P-M pπ-pπ Interaction (M=Ge, Sn, Pb)

scientific article published on 03 December 2019

NMR Coupling Constants Based on the Bethe–Salpeter Equation in the <i>GW</i> Approximation

scientific article published on 04 January 2022

NMR Indirect Spin–Spin Coupling Constants in a Modern Quasi-Relativistic Density Functional Framework

scientific article published on 21 June 2021

Paramagnetic NMR Shielding Tensors Based on Scalar Exact Two-Component and Spin–Orbit Perturbation Theory

scientific article published in 2022

Paramagnetic NMR Shielding Tensors and Ring Currents: Efficient Implementation and Application to Heavy Element Compounds

scientific article published in 2021

Quasi-Relativistic Calculation of EPR <i>g</i> Tensors with Derivatives of the Decoupling Transformation, Gauge-Including Atomic Orbitals, and Magnetic Balance

scientific article published on 31 March 2022

Stabilizing a metalloid {Zn12} unit within a polymetallide environment in [K2Zn20Bi16]6

scientific article published on 12 October 2020

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

scientific article published on 01 May 2020

Paulina is supported by:

About Paulina

Help