Results 31 to 40 of about 14,177,191 (172)
BNB/NBN‐Phenalenyl‐2'‐deoxyuridines as a Fluorophore–Quencher Pair in DNA
Two BN‐chromophore‐extended nucleosides containing electronically complementary BNB‐ and NBN‐doped phenalenyls were synthesised and incorporated into deoxyribonucleic acid (DNA) oligonucleotides. These chromophores act as an efficient fluorophore–quencher pair under aqueous conditions.
Sarah Lutz +6 more
wiley +2 more sources
A simple formula for calculating resonance energy of benzenoid hydrocarbons
The topological resonance energy (TRE) of a catacondensed benzenoid hydrocarbon with h six-membered rings and K Kekulé structures can be calculated by the (approximate) formula TRE = Ah + B + CK e–Dh, where A = 0.136, B = –0.223, C = 0.281, and D = 0.454.
Ivan Gutman, Slavko Slavko Radenković
doaj
Overcrowded Alkene Photo‐Redox‐Switches Based on Quinolinium/Carbene Building Blocks
A modular synthesis of a new class of photo‐ and redox‐switches is described based on the combination of quinolinium salts and carbenes. Photochemical switching allows to selectively switch between folded E/Z isomers, while electrochemical switching allows to change between neutral, radical cation and dicationic oxidation states, which are all isolable
Chris Burdenski +10 more
wiley +1 more source
We disclose a novel boron macrocycle derived from the sustainable furan building block. The boraporphyrinoid exhibits a global antiaromatic ring current and dynamic conformational flexibility. Twofold reduction induces a switch to strong global aromaticity, accompanied by stiffening of the porphyrinoid backbone.
Lukas Swoboda +6 more
wiley +2 more sources
Machine Learning Paradigm for Advanced Battery Electrolyte Development
Electrolyte materials determine ion transport kinetics within the bulk and interphases, ultimately influencing the performance of battery systems. As data‐driven paradigms increasingly reshape materials discovery, this review provides an application‐oriented exploration of the intersection between machine learning and electrolyte science. By evaluating
Chang Su +4 more
wiley +1 more source
Unremovable linked nodal structures protected by crystalline symmetries in stacked bilayer graphene with Kekulé texture [PDF]
Chiranjit Mondal +2 more
openalex +1 more source
COMPUTING THE ANTI-KEKULÉ NUMBER OF CERTAIN NANOTUBES AND NANOCONES
Let G(V,E) be a connected graph. A set M subset of E is called a matching if no two edges in M have a common end-vertex. A matching M in G is perfect if every vertex of G is incident with an edge in M.
Mehar Ali MALIK, Muhammad IMRAN
doaj
Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods
We present a cost‐effective multilevel workflow for the kinetic profiling of host–guest systems, illustrated with cucurbit[6]uril and alkylammonium cations. The method combines rapid docking and reaction path searches at the semi‐empirical level, with refinement of the results using modern density functional theory, accurately reproducing experiment ...
Thomas Gasevic +6 more
wiley +1 more source
Synthesis and Thermolysis of Ylidyl‐Substituted Stannylenes
The synthesis of an amino(ylidyl)stannylene is reported. The title compound was characterized via X‐ray diffraction and features a Sn2C2 heterocycle. Thermal treatment of the stannylene leads to the elimination of the amine. The products of the thermolysis are discussed.
Pascal Weisenburger +3 more
wiley +1 more source
The effects of ligand ring size and peripheral substitution on geometric and electronic structures as well as electrochemical and spectroscopic properties of a family of iron(II) complexes with macrocyclic tetracarbene ligands, often called organometallic heme analogues, have been analyzed, to provide structure/property correlations as a basis for ...
Isabelle Becker +7 more
wiley +1 more source

