Literature DB >> 15548048

Ring-current models from the differential Biot-Savart law.

S Pelloni1, A Ligabue, P Lazzeretti.   

Abstract

The differential Biot-Savart law provides simple models for the pi ring currents induced in diatropic and paratropic planar conjugated molecules by a perpendicular magnetic field. The model predictions are confirmed by ab initio maps of nuclear magnetic shielding density. The effects on the protons and on the ring carbon atoms from the closest and furthest segments of the current loop are easily interpreted. [structure: see text]

Entities:  

Year:  2004        PMID: 15548048     DOI: 10.1021/ol048332m

Source DB:  PubMed          Journal:  Org Lett        ISSN: 1523-7052            Impact factor:   6.005


  2 in total

1.  Spatial Contributions to Nuclear Magnetic Shieldings.

Authors:  Rahul Kumar Jinger; Heike Fliegl; Radovan Bast; Maria Dimitrova; Susi Lehtola; Dage Sundholm
Journal:  J Phys Chem A       Date:  2021-02-19       Impact factor: 2.781

2.  Benchmarking Magnetizabilities with Recent Density Functionals.

Authors:  Susi Lehtola; Maria Dimitrova; Heike Fliegl; Dage Sundholm
Journal:  J Chem Theory Comput       Date:  2021-02-18       Impact factor: 6.006

  2 in total

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