Results 51 to 60 of about 3,659 (130)
Game of Frontier Orbitals: A View on the Rational Design of Novel Charge-Transfer Materials [PDF]
, 2018 Since the first application of frontier molecular orbitals (FMOs) to rationalize stereospecificity of pericyclic reactions, FMOs have remained at the forefront of chemical theory.
Ivanov, Maxim Vadimovich +2 more
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NHC‐Terphenyl Radicals and Anions: Tuning Stability and Redox Properties via Substituent Patterning
Angewandte Chemie International Edition, Volume 64, Issue 51, December 15, 2025.Two series of C2‐terphenylated derivatives of three N‐heterocyclic carbenes (NHCs) have been reported. The para‐terphenylated species exhibit three stable (reversible) redox states (e.g., [2b]+, [2b]● and [2b]−), while for the meta‐terphenylated derivatives only cationic and neutral states (i.e., [3b]+ and [3b]●) are reversible.
Henric Steffenfauseweh +5 more
wiley +1 more source
Advanced Sustainable Systems, Volume 9, Issue 12, December 2025.Iron oxide‐impregnated biochar from sugarcane bagasse exhibits remarkable efficiency in removing 2,4‐dichlorophenoxyacetic acid and chlorophenoxyacetic acid, offering a sustainable option for water purification. The material retains high performance under real conditions while meeting safety criteria for irrigation use. Distinct structural features and
Thamiris Ferreira Souza +9 more
wiley +1 more source
A review of quantum collision dynamics in Debye plasmas
, 2016 Hot, dense plasmas exhibit screened Coulomb interactions, resulting from the collective effects of correlated many-particle interactions. In the lowest particle correlation order (pair-wise correlations), the interaction between charged plasma particles ...
Janev, R. K. +2 more
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Chemistry–Methods, Volume 5, Issue 12, November 2025.Expanded porphyrins, with their flexible structures and rich redox chemistry, offer a powerful platform to explore how aromaticity shapes molecular properties. This review introduces a multidimensional framework to quantify Hückel and Möbius aromaticity and examines its impact on the spectroscopic behavior across redox‐ and topology‐controlled expanded
Freija De Vleeschouwer +2 more
wiley +1 more source
Journal of Heterocyclic Chemistry, Volume 62, Issue 12, Page 2051-2063, December 2025.Mechanochemical ball‐milling of cyclic chlorophosphazenes at room temperature enables ring–ring expansion to larger cycles and pyrazole substitution, avoiding hazardous solvents and high temperatures. ABSTRACT In this study, we are using low‐energy mechanochemical ball‐milling with [PCl2N]3–4 at room temperature as an alternative to high‐temperature ...
Carrie Salmon +4 more
wiley +1 more source
What is the meaning of the graph energy after all?
, 2017 For a simple graph $G=(V,E)$ with eigenvalues of the adjacency matrix $\lambda_{1}\geq\lambda_{2}\geq\cdots\geq\lambda_{n}$, the energy of the graph is defined by $E(G)=\sum_{j=1}^{n}|\lambda_{j}|$.
Benzi, Michele, Estrada, Ernesto
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Revolutions in Chemistry: Assessment of Six 20th Century Candidates (The Instrumental Revolution; Hückel Molecular Orbital Theory; Hückel's 4n + 2 Rule; the Woodward-Hoffmann Rules; Quantum Chemistry; and Retrosynthetic Analysis). [PDF]
JACS Au, 2023 Seeman JI.
europepmc +1 more source
Role of Interlayer Coupling on the Evolution of Band Edges in Few-Layer Phosphorene
, 2016 Using first-principles calculations, we have investigated the evolution of band-edges in few-layer phosphorene as a function of the number of P layers. Our results predict that monolayer phosphorene is an indirect band gap semiconductor and its valence ...
Geng, W. T. +3 more
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Novel bis-arene (Sandwich) Complexes with NO\u3csup\u3e+\u3c/sup\u3e Acceptor. Isolation, X-ray Crystallography and Electronic Structure [PDF]
, 2002 The unusual charge-transfer complexes of various arene donors (ArH) with the nitrosonium cation (NO+) resulting from bimolecular [1 ∶ 1] associations can be extended at suitably high ArH concentrations to termolecular processes leading to the analogous ...
Kochi, Jay K. +2 more
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