Results 21 to 30 of about 56,351 (299)
3,3′-Bis(4-chlorophenyl)-2,2′-(m-phenylenedioxy)diquinazolin-4(3H)-one
Acta Crystallographica Section E, 2009 In the title compound, C34H20Cl2N4O4, the two quinazoline heterocyclic systems and the adjacent chlorobenzene rings are not coplanar, but oriented at dihedral angles of 66.66 (13) and 52.48 (12)°, respectively.
Hai-Zhou Yang, Hai-Tao Gao, Xu-Hong Yang
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Acta Crystallographica Section E, 2008 In the title compound, C36H44N4O4S, the dihedral angles between the central thiophene ring and the pendent oxadiazole rings are 12.7 (2) and 13.7 (2)°, and the dihedral angles between the oxadiazole rings and their adjacent benzene rings
Jian-ning Guan +3 more
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Ladder Operators for Quantum Systems Confined by Dihedral Angles
Symmetry, Integrability and Geometry: Methods and Applications, 2012 We report the identification and construction of raising and lowering operators for the complete eigenfunctions of isotropic harmonic oscillators confined by dihedral angles, in circular cylindrical and spherical coordinates; as well as for the hydrogen ...
Eugenio Ley-Koo, Guo-Hua Sun
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1,2-Bis(2-methyl-5-phenyl-3-thienyl)benzene
Acta Crystallographica Section E, 2009 In the molecule of the title compound, C28H22S2, the two thiophene rings are twisted with respect to the central benzene ring, making dihedral angles of 71.59 (12) and 50.71 (12)°.
Cong-Bin Fan +4 more
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Determination of the enol form of asymmetric 1,3-dicarbonyl compounds: 2D HMBC NMR data and DFT calculations [PDF]
Journal of the Serbian Chemical Society, 2018 In this study, a series of asymmetric aryl 1,3-dicarbonyl compounds were synthesized and their enol forms were observed via experimental data and theoretical calculations.
Tan Meltem +2 more
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Prediction of backbone dihedral angles and protein secondary structure using support vector machines
BMC Bioinformatics, 2009 Background The prediction of the secondary structure of a protein is a critical step in the prediction of its tertiary structure and, potentially, its function.
Hirst Jonathan D, Kountouris Petros
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Dihedral angles of n-simplices
Applied Mathematics Letters, 1992 It is proved that if \(\{v_ 1,\dots,v_ n\}\) is a set of orthogonal nonzero vectors in \(E^ n\), if \(F_ i\) is an \((n-1)\)-dimensional face of the \(n\)-simplex \([v_ 0,v_ 1,\dots,v_ n]\) for \(i=1,2,\dots,n\) and if \(\theta_{kl}\) is the dihedral angle between \(F_ k\) and \(F_ l\), then \(\Sigma\cos^ 2\theta_{kl}=1\). Also in the case of a regular
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Photo‐Switching Thermal and Lithium‐Ion Conductivity in Azobenzene Polymers
Advanced Functional Materials, EarlyView.Light‐responsive azobenzene polymers control thermal and ionic transport simultaneously through structural transitions. UV illumination disrupts π–π stacking, converting crystalline trans states to amorphous cis configurations. Thermal conductivity drops from 0.45 to 0.15 W·m−1·K−1 while Li+ diffusivity increases 100 fold. This dual transport switching
Jaeuk Sung +7 more
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(6-Chloropyridazin-3-yl)ferrocene
Acta Crystallographica Section E, 2014 The asymmetric unit of the title compound, [Fe(C5H5)(C9H6ClN2)], contains two independent molecules in which the cyclopentadienyl rings are almost parallel, making dihedral angles of 2.16 (4) and 2.71 (5), and the dihedral angles between the pyridazinyl ...
Guo-Qing Shi +3 more
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Efficient Charge Transport in Zero‐Dimensional Perovskite for Ultrahigh‐Sensitivity X‐Ray Detection
Advanced Functional Materials, EarlyView.A novel mono‐octahedral 0D Bi‐based Dpy3Bi2I12 perovskite strengthens the internal hydrogen bonds and forms a quasi‐2D lattice, exhibits exceptional charge transport and mobility, achieving high X‐ray sensitivity and ultralow‐dose imaging, and setting a new benchmark for 0D detector performance.
Xin Song +16 more
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