Current density and molecular magnetic properties
We give an overview of the molecular response to an external magnetic field perturbing
quantum mechanical systems. We present state-of-the-art methods for calculating …
quantum mechanical systems. We present state-of-the-art methods for calculating …
Chemical synthesis of carbon nanorings and nanobelts
Conspectus The discovery and creation of new forms of carbon have always transformed the
scientific landscape. For example, the discoveries of fullerenes, carbon nanotubes (CNTs) …
scientific landscape. For example, the discoveries of fullerenes, carbon nanotubes (CNTs) …
Methylene-Bridged [6]-,[8]-, and [10] Cycloparaphenylenes: Size-dependent properties and paratropic belt currents
Cycloparaphenylenes (CPPs) and carbon nanobelts (CNBs) represent some of the most
iconic cyclic molecular nanocarbons in recent chemistry owing to their unique properties …
iconic cyclic molecular nanocarbons in recent chemistry owing to their unique properties …
Tunable Macrocyclic Polyparaphenylene Nanolassos via Copper‐Free Click Chemistry
TA Schaub, A Zieleniewska, R Kaur… - … A European Journal, 2023 - Wiley Online Library
Deriving diverse compound libraries from a single substrate in high yields remains to be a
challenge in cycloparaphenylene chemistry. In here, a strategy for the late‐stage …
challenge in cycloparaphenylene chemistry. In here, a strategy for the late‐stage …
Charge delocalization and global aromaticity in a partially fused 12-porphyrin nanoring
Aromatic and antiaromatic ring currents can reveal global electronic delocalization around
the circumference of π-conjugated macrocycles, although these phenomena are poorly …
the circumference of π-conjugated macrocycles, although these phenomena are poorly …
Triplet state baird aromaticity in macrocycles: Scope, limitations, and complications
The aromaticity of cyclic 4 n π-electron molecules in their first ππ* triplet state (T1), labeled
Baird aromaticity, has gained growing attention in the past decade. Here we explore …
Baird aromaticity, has gained growing attention in the past decade. Here we explore …
Magnetic Aromaticity of Cycloporphyrin Nanorings
The ascertainment of magnetic aromaticity is not necessarily straightforward, especially for
large and bent systems, such as the cycloporphyrin nanorings recently synthesized by the …
large and bent systems, such as the cycloporphyrin nanorings recently synthesized by the …
Time-Independent Electron Current Density
FF Summa - Molecular Properties via Induced Current Densities, 2024 - Springer
This chapter has a dual aim. The first is to report the equations defining total electron current
density induced by static and uniform magnetic and electric fields in the presence of a spin …
density induced by static and uniform magnetic and electric fields in the presence of a spin …