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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
1H NMR spectroscopy has become an important technique for the characterization of transition-metal hydride complexes, whose metal-bound hydrides are often difficult to locate by X-ray diffraction. In this regard, the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
In recent years, considerable progress has been made in the conversion of biomass into renewable chemicals, yet the range of value-added products that can be formed from biomass remains relatively small. Herein, we demonstrate ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Ab initio molecular dynamics simulations are used to explore tetrahydrofuran (THF) solutions containing pure LiCl and LiCl with CH3MgCl, as model constituents of the turbo Grignard reagent. LiCl aggregates as Li4Cl4, which ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
The halogen bond (XB) is a highly directional class of noncovalent interactions widely explored by experimental and computational studies. However, the NMR signature of the XB has attracted limited attention. The prediction ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Selective reduction of CO2 is an efficient solution for producing nonfossil-based chemical feedstocks and simultaneously alleviating the increasing atmospheric concentration of this greenhouse gas. With this aim, molecular ...