Enantiomers, where chirality arises from restricted rotation around a single bond, are
atropisomers. Due to the unique nature of the origins of their chirality, synthetic strategies to …

The most recent results dealing with the computation of 13 C NMR chemical shifts in
chemistry (small molecules, saturated, unsaturated and aromatic compounds, heterocycles …

The synthesis and characterization of hitherto hypothetical AuIII π‐alkyne complexes is
reported. Bonding and stability depend strongly on the trans effect and steric factors …

The fundamental role that aldol chemistry adopts in various disciplines, such as
stereoselective catalysis or the biosynthesis of aromatic polyketides, illustrates its …

Atropisomeric biaryl systems are privileged architectures used in asymmetric synthesis and
pharmaceutical structures. We report that by simply removing a single-electron, the …

A general procedure for the optimization of atomic density-fitting basis functions is designed
with the balance between accuracy and numerical stability in mind. Given one-electron …

This review covers NMR computational aspects of charged systems—carbocations,
heterocations, and heteroanions, which were extensively studied in a number of laboratories …

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Magnetization Characteristics of Oriented Single-Crystalline NiFe-Cu Nanocubes …

Herein we report a rationally designed, serial point-to-axial and axial-to-point
stereoinduction and its integration into multi-step and target-oriented organic synthesis. In …

A method to cleave the C–C biaryl bond of binaphthyl derivatives under reductive conditions
is described. Triflic acid employed together with a catalytic HAT reagent, 2-ethyl-9, 10 …