Rinat T. Nasibullin, Maria Dimitrova, Rashid R. Valiev and Dage Sundholm
Chem. Sci., 2025,16, 8040-8052
Abstract
We have developed a method to calculate orbital contributions to magnetically induced current density susceptibilities using gauge-including atomic orbitals.
Lenara I. Valiulina, R. Valiyev, Victor N. Cherepanov and Elena V. Stepanova
New J. Chem., 2025,49, 15829-15836
Abstract
The electron delocalization and aromaticity of a series of boron-doped porphyrins were investigated computationally using the ring current criterion.
Daniel Blasco and Dage Sundholm
Dalton Trans., 2024,53, 10150-10158
Abstract
Gold metallacycles can sustain strong magnetically induced ring currents and thus exhibit aromaticity or antiaromaticity depending on the number of π electrons in the cycle.
Asim Swain, Krzysztof Radacki, Holger Braunschweig and Prince Ravat
Chem. Sci., 2024,15, 11737-11747
From themed collection:
2024 Chemical Science Covers
Abstract
Enantiopure [7]helicenes were utilized as molecular wrenches at the terminal K-regions of the conjugated pyrene nanoribbon to achieve a 99.9% conformational population of a single-handed helical ribbon with an end-to-end twist of 171°.