Results 41 to 50 of about 1,042 (145)
On lower bounds for the energy of graphs
Arab Journal of Basic and Applied SciencesThe concept of the energy of a graph was introduced by Gutman in 1978, inspired by the Hückel molecular orbital theory, which approximates the total [Formula: see text]-electron energy of a conjugated hydrocarbon molecule using the energy of its ...
B. R. Rakshith, L. Yashaswini
doaj +1 more source
Ion‐Pairing and Counterion Effects in Contemporary Photochemistry
Angewandte Chemie Novit, Volume 2, Issue 2, June 2026.Ion‐pairing and counterion effects have emerged as fundamental yet underexplored determinants of photochemical behavior. Far from inert, counterions, and Coulombic interactions modulate excited‐state dynamics, quenching efficiencies, emission, and catalytic pathways.
Matthias Schmitz, Christoph Kerzig
wiley +1 more source
Mass Transport Mechanisms in 2D Laminar Nanofluidic Membranes for Separation and Energy Conversion
Carbon Innovation, Volume 1, Issue 1, Page 49-77, June 2026.This review explores how two‐dimensional laminar membranes govern the transport of ions and molecules in confinement for advanced separation and energy conversion. By discussing how nanochannel architecture shapes membrane performance, this work highlights cation intercalation and functional modifications to improve osmotic energy harvesting ...
Adhy Prihatmiko Wibowo +3 more
wiley +1 more source
Room‐Temperature Gas‐Phase CO2‐to‐C3 Coupling by a 4f‐Aromatic Cluster
Angewandte Chemie, Volume 138, Issue 22, 25 May 2026.We engineered a 4f metalla aromatic cluster, PrB2C2−, that enables efficient sequential C−C coupling with CO2 at room temperature, yielding a linear C3 backbone. This system provides a complete theoretical catalytic cycle and establishes a new design principle for lanthanide mediated CO2 activation.
Feng‐Xiang Zhang +7 more
wiley +1 more source
Chemistry – A European Journal, Volume 32, Issue 18, 14 May 2026.Tetracene and bis(tri(isopropyl)silylethynyl)tetracene (TIPS‐tetracene) exhibit characteristic similarities and differences in their electrochemical redox behavior depending on the base solvent of the electrolyte. Analysis of cyclic voltammograms allows the quantification of substituent and solvent effects and the calculation of an “electrochemical gap.
Holger F. Bettinger +2 more
wiley +1 more source
The Hubbard transition and unsaturated hydrocarbons [PDF]
, 1989 We contrast a simple molecular orbital theory (Hückel) with a simple valence bond theory (Heisenberg–Dirac). We find for alternant systems in which both models have nondegenerate ground states that both models have ground states belonging to the most ...
Lee, Stephen, Stephen Lee
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Substituent Effects on Cyanine Dyes Vary with Position and Chain Length
Advanced Optical Materials, Volume 14, Issue 19, 22 May 2026.In cyanines, substituent effects vary as a function of substituent position and cyanine length. Electron‐donating‐ and ‐withdrawing groups at meso‐ and α‐positions of 4n+1/4n−1 long cyanines (n = 1, 2, 3…) cause opposing, hypsochromic and bathochromic shifts of the 1st UV–vis absorption bands.
David Dunlop +2 more
wiley +1 more source
Reversible Dihydrogen Splitting and Diradical Reactivity of 1,4‐Digermabenzene‐1,4‐diide
ChemistryEurope, Volume 4, Issue 5, May 2026.The diradical reactivity of the 1,4‐digermabenzene‐1,4‐diide, [(ADC)Ge]2, has been demonstrated with a range of substrates. Notably, it undergoes reversible dihydrogen splitting and radical coupling with TEMPO (2,2,6,6‐tetramethylpiperidinyloxyl = RO), forming [(ADC)GeH]2 and [(ADC)Ge(OR)]2, respectively.
Falk Ebeler +5 more
wiley +1 more source
Uniqueness of Supramolecular Systems
Macromolecular Materials and Engineering, Volume 311, Issue 5, May 2026.Thanks to the variety of classes of supramolecular systems, they have been widely used in various applications. For example, in sensing devices, catalysis, and biomedicine. An example of a conventional photovoltaic material converted into electrical energy. Selective UV or NIR absorbers are required to produce materials with low or no coloration.
José A. Sánchez‐Fernández
wiley +1 more source
Some molecular orbital calculations of the potential energy surfaces of organic molecules
, 2017 In this thesis, molecular orbital calculations are used to study a variety of organic reactions, most of which involve molecules containing a large number of atoms.
Clyne, L.
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