Genealogy of Conjugated Acyclic Polyenes
Molecules, 2017 Based on the total π-electron energies Eπs of Hückel Molecular Orbital (HMO) method for all the possible isomers of conjugated acyclic polyenes (C2nH2n+2) up to n = 7, the structure–stability relation of the possible isomers was analyzed.
Haruo Hosoya
doaj +1 more source
A Failed Encounter in Mathematics and Chemistry: The Folded Models of van ‘t Hoff and Sachse [PDF]
, 2016 Three-dimensional material models of molecules were used throughout the 19th century, either functioning as a mere representation or opening new epistemic horizons. In this paper, two case studies are examined: the 1875 models of van ‘t Hoff and the 1890
Friedman, Michael
core
Photocatalytic Vanadium‐Mediated Amination of Benzene With Hydroxylamine
Chemistry – A European Journal, EarlyView.Photochemical activation of N‐phenylphenothiazine (PPT) enables a selective direct benzene amination with hydroxylamine in the presence of various vanadium catalysts under mild reaction conditions. Spectroscopic and kinetic analyses identify a key vanadium(IV)‐hydroxylamine intermediate, elucidate the crucial roles of the acidic medium, the ...
Dana Králová +6 more
wiley +1 more source
Toward Larger Cyclo‐9,10‐Anthryleneparaphenylenes
Chemistry – A European Journal, EarlyView.During a macrocyclization with a dihydroanthracene diol as corner unit, larger oligomers than the trimer and tetramer were formed and isolated up to the nonamer. Their three‐dimensional structures were studied by X‐ray diffraction. The most abundant macrocycles were rearomatized to the corresponding CPP derivatives.
Moritz P. Schuldt +3 more
wiley +1 more source
Effect of benzocyclobutadieno-annelation on cyclic conjugation in fluoranthene congeners [PDF]
Journal of the Serbian Chemical Society, 2011 Earlier studies revealed that benzo-annelation has a peculiar effect on the intensity of cyclic conjugation in the five-membered ring of fluoranthene congeners.
IVAN GUTMAN +2 more
doaj
Edge functionalisation of graphene nanoribbons with a boron dipyrrin complex : a thesis presented in partial fulfilment of the requirements for the degree of Doctor of Philosophy in Nanoscience at Massey University, Manawatū, New Zealand [PDF]
, 2017 Chemical modification can be used to tune the properties of graphene and graphene nanoribbons, making them promising candidates for carbon-based electronics.
Way, Ashley Jacqulyne
core
Competing pairing channels in the doped honeycomb lattice Hubbard model
, 2016 Proposals for superconductivity emerging from correlated electrons in the doped Hubbard model on the honeycomb lattice range from chiral $d+id$ singlet to $p+ip$ triplet pairing, depending on the considered range of doping and interaction strength, as ...
Meng, Zi Yang +2 more
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Short‐Range Machine‐Learning Potentials for Aqueous Electrolyte Solutions
ChemPhysChem, Volume 27, Issue 9, 14 May 2026.Machine‐learning potentials enable simulations beyond the reach of ab initio methods. We benchmark small MACE models on aqueous sodium chloride (NaCl), varying size and equivariance to probe accuracy, stability, and efficiency. Model accuracy has little impact on observables but is essential for stability, highlighting the promise of minimal, dedicated
Lisa Hetzel, Christopher J. Stein
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Substance and chemical reaction as core concepts in chemistry. A conceptual, historical and pedagogical discussion [PDF]
, 2011 En este articulo se lleva a cabo una discusion conceptual, historica y didactica de dos conceptos centrales de la quimica: sustancia y reaccion quimica, en sus aspectos macroscopico y nanoscopico.
Garritz, Andoni +2 more
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Science Education, Volume 110, Issue 3, Page 928-946, May 2026.ABSTRACT Students' diverse levels of knowledge and competence—shaped by individual interests and educational debts, including structural, systemic, and institutional barriers—create substantial cognitive heterogeneity in instructional settings. Adequately addressing this heterogeneity is challenging.
Paul P. Martin +4 more
wiley +1 more source