Results 51 to 60 of about 37,517 (252)
The Importance of Metal‐Organic Framework Linker Atoms for CO2 Reduction: A DFT Study
Advanced Science, EarlyView.Using DFT, we examine the role of linker atoms in CO2 reduction on copper‐based metal organic frameworks (Cu MOFs). Our calculations reveal that linker atoms may serve as both CO2 and H‐shuttling sites and suggest linker electrostatics as a descriptor for linker activity. ABSTRACT Although the metal within the secondary building unit of a metal‐organic
Ugochukwu Nwosu, Samira Siahrostami
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Dimethyl 2,2′-dinitrobiphenyl-4,4′-dicarboxylate
Acta Crystallographica Section E, 2014 The title compound, C16H12N2O8, exhibits two near-planar aromatic ester groups with aryl–ester dihedral angles of 2.1 (2) and 4.2 (3)°. The dihedral angle between the aromatic rings is 58.0 (1)°. The two nitro groups are tilted slightly from the plane of
Ryan L. Lehane +3 more
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Advanced Science, EarlyView.We elucidate the key roles of metal p‐d orbital hybridization, excited‐state metal–ligand π‐interactions, and structural rotation in TADF of d10 CMA complexes. Introducing electron‐withdrawing or π‐extended ligand substituents weakens excited‐state metal‐ligand π‐interactions and improves kTADF, but may compromise emitter stability in device operation.
Shuo Xu +5 more
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Tetramethyl biphenyl-2,3,3′,4′-tetracarboxylate
Acta Crystallographica Section E, 2008 The asymmetric unit of the title compound, C20H18O8, contains two molecules with small geometric differences. The dihedral angles between the benzene rings are 62.94 (12) and 59.99 (12)°.
Jian Men +4 more
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On schurity of dihedral groups
Journal of AlgebraA finite group $G$ is called a Schur group if every $S$-ring over $G$ is schurian, i.e. associated in a natural way with a subgroup of $Sym(G)$ that contains all right translations. One of the crucial questions in the $S$-ring theory is the question on schurity of nonabelian groups, in particular, on existence of an infinite family of nonabelian Schur ...
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Algebras and Dihedral Defect Groups
Proceedings of the London Mathematical Society, 1987 Let F be an algebraically closed field of characteristic 2, and let G be a finite group. Let B be a block of the group algebra FG with dihedral defect group D of order \(2^ n\). It has been proved by \textit{R. Brauer} [Symp. Math. 13, 367-393 (1974; Zbl 0288.20010)] that B has either 1, 2 or 3 simple modules.
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Advanced Science, EarlyView.The effect of the structural arrangement of DIO and its analogs on ferroelectric phases is explored. Consequently, it is found that an asymmetrically fluorinated phenyl 4‐biphenylcaroboxylate skeleton is one of the favorable structural motifs for the emergence of enantiotropic ferroelectric liquid crystal phases.
Hiroyuki Matsukizono +4 more
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Γ-supermagic labeling of products of two cycles with dihedral groups
Indonesian Journal of CombinatoricsA Γ-supermagic labeling of a graph G=(V,E) is a bijection from E to a group Γ of order |E| such that for every vertex x∈V a product of labels of all edges incident with x is equal to the same element µ∈Γ.
Dalibor Froncek
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3,5-Bis(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
Acta Crystallographica Section E, 2010 In the title compound, C21H16F2N2, the dihedral angle between the fluorophenyl groups is 66.34 (8)°, and the dihedral angle between the envelope-configured pyrazole group (N/N/C/C/C) and the benzene ring is 11.50 (9)°
Jerry P. Jasinski +4 more
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Hurwitz Equivalence in Dihedral Groups
The Electronic Journal of Combinatorics, 2011 In this paper we determine the orbits of the braid group $B_n$ action on $G^n$ when $G$ is a dihedral group and for any $T \in G^n$. We prove that the following invariants serve as necessary and sufficient conditions for Hurwitz equivalence. They are: the product of its entries, the subgroup generated by its entries, and the number of times each ...
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