Calculations of magnetically induced current densities: theory and applications
D Sundholm, H Fliegl… - Wiley Interdisciplinary …, 2016 - Wiley Online Library
A review of computational studies of magnetically induced current density susceptibilities in
molecules and their relation to experiments is presented. The history of the investigation of …
molecules and their relation to experiments is presented. The history of the investigation of …
Porphyrinoids, a unique platform for exploring excited-state aromaticity
Recently, Baird (anti) aromaticity has been referred to as a description of excited-state (anti)
aromaticity. With the term of Baird's rule, recent studies have intensively verified that the …
aromaticity. With the term of Baird's rule, recent studies have intensively verified that the …
Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D?
Several fully π-conjugated macrocycles with puckered or cage-type structures were recently
found to exhibit aromatic character according to both experiments and computations. We …
found to exhibit aromatic character according to both experiments and computations. We …
Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief
Gain of aromaticity or relief of antiaromaticity along a reaction path are important factors to
consider in mechanism studies. Analysis of such changes along potential energy surfaces …
consider in mechanism studies. Analysis of such changes along potential energy surfaces …
Baird's rules at the tipping point
Baird’s rules at the tipping point | Nature Chemistry Skip to main content Thank you for visiting
nature.com. You are using a browser version with limited support for CSS. To obtain the best …
nature.com. You are using a browser version with limited support for CSS. To obtain the best …
Small is beautiful: electronic origin and synthetic evolution of single-benzene fluorophores
H Kim, Y Kim, D Lee - Accounts of Chemical Research, 2023 - ACS Publications
Conspectus Single-benzene fluorophores (SBFs) are small molecules that produce visible
light by using only one benzene ring as the sole aromatic core. This Account centers around …
light by using only one benzene ring as the sole aromatic core. This Account centers around …
[图书][B] Aromaticity: Modern Computational Methods and Applications
I Fernández - 2021 - books.google.com
Evaluating the aromaticity of a molecular system and the influence of this concept on its
properties is a crucial step in the development of novel aromatic systems. Modern …
properties is a crucial step in the development of novel aromatic systems. Modern …
Control and switching of aromaticity in various all-aza-expanded porphyrins: spectroscopic and theoretical analyses
Modification of aromaticity is regarded as one of the most interesting and important research
topics in the field of physical organic chemistry. Particularly, porphyrins and their analogues …
topics in the field of physical organic chemistry. Particularly, porphyrins and their analogues …
Recent advances in ultralong room-temperature phosphorescence materials based on metal–organic halides
Ultralong room-temperature phosphorescence (RTP) materials showing persistent
luminescence have attracted much attention in the fields of information encryption, light …
luminescence have attracted much attention in the fields of information encryption, light …
[HTML][HTML] The application of aromaticity and antiaromaticity to reaction mechanisms
Q Zhu, S Chen, D Chen, L Lin, K Xiao, L Zhao… - Fundamental …, 2023 - Elsevier
Aromaticity, in general, can promote a given reaction by stabilizing a transition state or a
product via a mobility of π electrons in a cyclic structure. Similarly, such a promotion could …
product via a mobility of π electrons in a cyclic structure. Similarly, such a promotion could …