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Journal of Chemical Theory and Computation|June 1, 2023
Computation of CCSD(T)-Quality NMR Chemical Shifts via Δ-Machine Learning from DFTJulius B Kleine Büning, Stefan GrimmePhysical Chemistry Chemical Physics : PCCP|January 17, 2024
Machine learning-based correction for spin-orbit coupling effects in NMR chemical shift calculationsJulius B Kleine Büning, Stefan Grimme, Markus BurschInorganic Chemistry|March 6, 2024
Benchmark Study on the Calculation of 207Pb NMR Chemical ShiftsThomas Gasevic, Julius B Kleine Büning, Stefan Grimme, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|September 18, 2023
Modular Bicyclophane-Based Molecular PlatformsDaniel Kalle, Joshua Bahr, Tristan Johannes Keller, et al.Journal of the American Chemical Society|November 28, 2023
A Chiral Titanocene Complex as Regiodivergent Photoredox Catalyst: Synthetic Scope and Mechanism of Catalyst GenerationZhenhua Zhang, Daniel Slak, Tim Krebs, et al.Angewandte Chemie (International Ed. in English)|January 11, 2023
Probing a Hydrogen-π Interaction Involving a Trapped Water Molecule in the Solid StateEttore Bartalucci, Alexander A Malär, Anne Mehnert, et al.Pageof 1