Results 41 to 50 of about 114,417 (310)
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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Non-dimensional Star-Identification
, 2020 This study introduces a new "Non-Dimensional" star identification algorithm to reliably identify the stars observed by a wide field-of-view star tracker when the focal length and optical axis offset values are known with poor accuracy.
Arnas, David +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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(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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On Dihedral Angles of a Simplex
Journal of Mathematics Research, 2013 For an $n$-simplex, let $\alpha,\,\beta$ denote the maximum, and the minimum dihedral angles of the simplex, respectively. It is proved that the inequality $\alpha\le \arccos(1/n)\le \beta$ always holds, and either side equality implies that the $n$-simplex is a regular simplex.
openaire +2 more sources
Advanced Functional Materials, Volume 35, Issue 12, March 18, 2025.In this study, the unique role of the unusual lone‐pair‐π conjugation mechanism in poly(1,4‐anthraquinone) (P14AQ) is explored as an organic electrode material. Unlike traditional π‐π interactions, P14AQ's conjugation involves lone pairs of oxygen atoms interacting with the π cloud of adjacent units, enabling stable charge transport even with minimal π‐
Xiaotong Zhang, Piotr de Silva
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N-(2-Formylphenyl)-4-methyl-N-[(4-methylphenyl)sulfonyl]benzenesulfonamide
Acta Crystallographica Section E, 2014 In the title compound, C21H19NO5S2, the dihedral angles between the formylphenyl ring and the two methylphenyl rings are 29.3 (3) and 28.9 (3)°, respectively; the dihedral angle between the methylphenyl rings is 48.4 (2)°. The C—N—S—C torsion angles are −
Sung-Gon Kim
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Metropolis simulations of Met-Enkephalin with solvent-accessible area parameterizations [PDF]
, 2003 We investigate the solvent-accessible area method by means of Metropolis simulations of the brain peptide Met-Enkephalin at 300$ K$. For the energy function ECEPP/2 nine atomic solvation parameter (ASP) sets are studied. The simulations are compared with
A.H. Juffer +34 more
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Advanced Functional Materials, EarlyView.This work presents π–conjugated polymers based on dihydropyrazine (DHP) and ethylenedioxythiophene (EDOT), developed to produce highly conductive, flexible films for printed electronics. By optimizing the DHP and EDOT ratio, strong and compact π–π stacking is achieved, resulting in polymer films with conductivities up to 1700 S cm−1 under ambient ...
Sung Jae Jeon +3 more
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2-{4-[5-(3-Pyridyl)-2H-tetrazol-2-ylmethyl]phenyl}benzonitrile
Acta Crystallographica Section E, 2008 In the title compound, C20H14N6, there are two molecules with similar conformations in the asymmetric unit. The pyridine and tetrazole rings are nearly coplanar; they are twisted from each other by dihedral angles of only 8.7 (2) and 7.4 (2)&#
Wei Dai, Da-Wei Fu
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