Results 71 to 80 of about 2,231 (184)

Storing the wisdom: chemical concepts and chemoinformatics [PDF]

, 2015
The purpose of the paper is to examine the nature of chemical concepts, and the ways in which they are applied in chemoinformatics systems. An account of concepts in philosophy and in the information sciences leads to an analysis of chemical concepts ...
Ash, Ash, Ash, Ash, Atkins, Babaev, Badger, Barnard, Batchelor, Bawden, Bonchev, Bottle, Broughton, Buntrock, Chalmers, Crum Brown, Currano, Currano, Currano, Foskett, Garratt, Gilat, Hale, Hjørland, King, Knight, Krygowski, Lancaster, Lawson, Leach, Lewis, Loftus, Lynch, Margolis, Marradi, Maxwell, Meadows, Mitchell, Ney, Olis, Parsons, Peacocke, Rice, Ritter, Rouvray, Rouvray, Scerri, Scerri, Smith, Taber, Twiss-Brooks, Van Loocke, Villaveces, Vincent, Wagner, Walker, Weitz, Zhang   +57 more
core   +2 more sources

antiaromaticity

, 2008
Citation: 'antiaromaticity' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.AT06987 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source

Understanding the Interplay Between Thermal Activation, Diffusion, and Phase Segregation of Molecular Dopants Blended with Polymeric Semiconductors

Advanced Electronic Materials, Volume 12, Issue 6, 23 March 2026.
The use of air stable but thermally labile molecules provides an efficient strategy for the N‐type doping of organic semiconductors with relatively low electron affinities. Design criteria for efficient dopants should also take into account diffusion and phase segregation that cannot be decoupled from thermally activated doping.
Francesca Pallini, Sara Mattiello, Mauro Sassi, Gabriele Paoli, Giuseppe Mattioli, Pietro Rossi, Giulia Coco, Alberto D. Scaccabarozzi, Brian Minki Kim, Pietro Mariani, Hiba Wakidi, Sadie M. Flagg, Massimiliano D'Arienzo, Mario Caironi, Thuc‐Quyen Nguyen, Luca Beverina   +15 more
wiley   +1 more source

Highly Electron‐Donating Antiaromatic N,N′‐Dimethyldiazaporphyrins via Reductive Dimethylation

ChemistryEurope
Ni(II) N,N′‐dimethyl‐5,15‐diazaporhyrins are efficiently prepared through reductive dimethylation of 5,15‐diazaporphyrin Ni(II) complexes with sodium dispersion in the presence of dimethyl sulfate.
Kohei Ohtake, Hideaki Takano, Hiroshi Shinokubo   +2 more
doaj   +1 more source

Interpreting Aromaticity and Antiaromaticity through Bifurcation Analysis of the Induced Magnetic Field

ChemistryOpen, 2019
In all molecules, a current density is induced when the molecule is subjected to an external magnetic field. In turn, this current density creates a particular magnetic field.
Dr. Ricardo Pino‐Rios, Prof. Gloria Cárdenas‐Jirón, Prof. Lina Ruiz, Prof. William Tiznado   +3 more
doaj   +1 more source

Reversal of Clar's Aromatic‐Sextet Rule in Ultrashort Single‐End‐Capped [5,5] Carbon Nanotubes

ChemistryOpen, 2020
The three‐fold HOMO‐LUMO gap oscillation, typical of finite length armchair carbon nanotubes (CNT), has a major effect on the magnetic response of ultrashort, single‐end‐capped [5,5] carbon nanotubes to a perturbing magnetic field parallel to the main ...
Dr. Guglielmo Monaco, Prof. Emeritus Lawrence T. Scott, Prof. Riccardo Zanasi   +2 more
doaj   +1 more source

Exploring the World of Double Nanohoops

Angewandte Chemie International Edition, Volume 65, Issue 6, 2 February 2026.
As two conjugated nanohoops covalently linked by a central unit, double nanohoops are a relatively new class of strained nanocarbons with different properties to single nanohoops. This review gives an overview of all reported double nanohoops, categorizing their structures, syntheses, and discussing properties and applications. Creativity and synthetic
Luisa Rzesny, Philipp Seitz, Birgit Esser   +2 more
wiley   +1 more source

Nuclear spin selective alignment of ethylene and analogues [PDF]

, 2011
We investigate the alignment of ethylene and of some of its analogues via short, non-resonant laser pulses and show that it depends crucially on the nuclear spin of the molecules. We calculate the time-dependent alignment factors of the four nuclear spin
Grohmann, Thomas, Leibscher, Monika
core   +1 more source

Aromaticity‐Dependent Memristive Switching

Advanced Electronic Materials
In recent years, memristors have drawn attention as non‐volatile memory devices for advanced computing engineering. The features of memristors, such as hysteresis, high resistance state to low resistance state ratio, retention time, etc., are determined ...
Ewelina Cechosz, Lulu Alluhaibi, Tomasz Mazur, Andrzej Sławek, Nanjan Pandurangan, Konrad Szaciłowski   +5 more
doaj   +1 more source

Perimeter ring currents in benzenoids from Pauling bond orders [PDF]

, 2016
It is shown that the ring currents in perimeter hexagonal rings of Kekulean benzenoids, as estimated within the Randić conjugated-circuit model, can be calculated directly without tedious pairwise comparison of Kekulé structures or Kekulé counting for ...
Bird, W.H., Fowler, P.W., Jenkinson, D., Myrvold, W.   +3 more
core   +1 more source