AACID: Anisotropy of the Asymmetric Magnetically Induced Current Density Tensor

2018 ◽  
Vol 122 (19) ◽  
pp. 4681-4686 ◽  
Author(s):  
Guglielmo Monaco ◽  
Riccardo Zanasi
Keyword(s):  
Current Density ◽  
Induced Current ◽  
Density Tensor

Delocalization energy retrieved from the current density tensor

2019 ◽  
Vol 21 (22) ◽  
pp. 11564-11568 ◽  
Author(s):  
Guglielmo Monaco ◽  
Riccardo Zanasi
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Current Density ◽  
Aromatic Hydrocarbons ◽  
Induced Current ◽  
Original Formulation ◽  
Density Tensor ◽  
Delocalization Energy ◽  
Polycyclic Aromatic

The anisotropy of the magnetically induced current density tensor can be computed by its original formulation, known in the literature as ACID, or by its revised definition, AACID, which takes into account the asymmetric nature of the tensor. In polycyclic aromatic hydrocarbons, the excess of the integrated value of AACID over that computed for isolated ethylenes correlate with the Hückel delocalization energy.

Invariance of magnetic-field induced current density to a continuous transformation of the origin of the coordinate system

2006 ◽  
Vol 421 (1-3) ◽  
pp. 21-26 ◽  
Author(s):  
Alessandro Soncini ◽  
Paolo Lazzeretti ◽  
Riccardo Zanasi
Keyword(s):  
Magnetic Field ◽  
Coordinate System ◽  
Current Density ◽  
Induced Current ◽  
Continuous Transformation

Magnetically-induced current density investigation in carbohelicenes and azahelicenes

2019 ◽  
Vol 21 (27) ◽  
pp. 14678-14691 ◽  
Author(s):  
Emna Cherni ◽  
Benoît Champagne ◽  
Sameh Ayadi ◽  
Vincent Liégeois
Keyword(s):  
Current Density ◽  
Induced Current

3D streamline plot of the current density (left) and total induced current (right) for [6]-helicene molecule.

scholarly journals Relativity or aromaticity? A first-principles perspective of chemical shifts in osmabenzene and osmapentalene derivatives

2020 ◽  
Vol 22 (19) ◽  
pp. 10863-10869 ◽  
Author(s):  
Cina Foroutan-Nejad ◽  
Jan Vícha ◽  
Abhik Ghosh
Keyword(s):  
Current Density ◽  
First Principles ◽  
Chemical Shifts ◽  
Induced Current ◽  
Aromatic System ◽  
System P

The topology of the magnetically induced current density in osmabenzene suggests that the molecule is a novel type of Craig–Möbius aromatic system.

scholarly journals Distributions of Induced Current Density Inside an Ungrounded Human Model Exposed to Electric Field

1999 ◽  
Vol 119 (3) ◽  
pp. 401-407 ◽  
Author(s):  
Atsuo Chiba ◽  
Katsuo Isaka
Keyword(s):  
Electric Field ◽  
Current Density ◽  
Human Model ◽  
Induced Current

The role of induced current density in Steroelectronic effects: Perlin effect

2015 ◽  
Vol 36 (21) ◽  
pp. 1573-1578 ◽  
Author(s):  
Joseelyne G. Hernández-Lima ◽  
Jose E. Barquera-Lozada ◽  
Gabriel Cuevas ◽  
Fernando Cortés-Guzmán
Keyword(s):  
Current Density ◽  
Induced Current

Relativistic effects on the aromaticity of the halogenated benzenes: C6X6, X = H, F, Cl, Br, I, At

2016 ◽  
Vol 18 (36) ◽  
pp. 25751-25755 ◽  
Author(s):  
Rodrigo Ramírez-Tagle ◽  
Leonor Alvarado-Soto ◽  
Andrés Villavicencio-Wastavino ◽  
Luis Alvarez-Thon
Keyword(s):  
Current Density ◽  
Relativistic Effects ◽  
Induced Current ◽  
Density Method ◽  
Halogenated Benzenes

We study the relativistic effects on the aromaticity of the six hexahalogenated compounds C6X6, via a magnetically induced current density method.

Sign in / Sign up

Export Citation Format

Share Document