Results 241 to 250 of about 650,868 (292)
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Thioacetylacetone: Structural and Vibrational Assignments
ChemPhysChem, 2004AbstractThioacetylacetone and its variously deuterated isotopomers have been investigated using electronic and vibrational spectroscopy combined with quantum chemical calculations. Thioacetylacetone is known for its photochromic properties, but the structures of the initial and final forms have been the subject of a long debate.
Yevgen, Posokhov +5 more
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Assignment commands and array structures
17th Annual Symposium on Foundations of Computer Science (sfcs 1976), 1976Straight line programs in which array elements can be referenced and set are considered. Two programs are equivalent if they compute the same expression as a function of the inputs. Testing the equivalence of programs with arrays is shown to be NP-complete, while programs without arrays can be tested for equivalence in linear time.
Peter J. Downey, Ravi Sethi
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Assignment Strategy for Proteins with Known Structure
Journal of Magnetic Resonance, 2002In protein NMR the assignment of nuclear spin resonances is a prerequisite for all subsequent applications, such as studies of ligand binding, protein-DNA interactions, and dynamics. Resonance assignment is a time consuming step even when the 3D x-ray structure of the protein is available.
Hus, J.C. +2 more
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Assigning a kekulé structure to a conjugated molecule
Computers & Chemistry, 1995Summary: The Edmonds matching algorithm [\textit{J. Edmonds}, Can. J. Math. 17, 449- 467 (1965; Zbl 0132.209)] which leads easily to finding a perfect matching in a chemical graph, which is equivalent to a Kekulé structure in a conjugated molecule, is recalled.
Pierre Hansen, Maolin Zheng
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Journal of Philosophical Logic, 2004
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Structural assignment of adenine aggregates in CDCl3
The Journal of Chemical Physics, 2008We reinvestigated the self-association of 9-substituted adenine derivatives in CDCl3 solutions and present the infrared spectra of 9-ethyladenine and N-methyl-9-ethyladenine and its aggregates in the spectral regions between 1500 and 1800cm−1 and between 2700 and 3600cm−1.
Lars, Biemann +4 more
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On pole structure assignment in linear systems
International Journal of Control, 2009The problem of pole structure assignment (PSA) by state feedback in implicit, linear and uncontrollable systems is discussed in the article. It is shown that the problem is solvable if the system is regularisable. Then necessary and sufficient conditions for characteristic polynomial assignment are established. In the case of PSA (invariant polynomials
Jean Jacques Loiseau, Petr Zagalák
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Structure and vibrational assignment of beryllium acetylacetonate
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2009The structure of beryllium acetylacetonate, Be(acac)(2), was fully optimized at the B3LYP (using the 6-31G*, 6-311G*, and 6-311++G(3df,2p) basis sets), Hartree-Fock, and the Möller-Plesset (using the 6-31G* basis set) levels. The frequency and intensity of the vibrational bands of Be(acac)(2) and its 1,3,5-(13)C; 2,4-(13)C; 3-(2)H; 3-(2)H-2,4-(18)O ...
Sayyed Faramarz, Tayyari +3 more
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Method for Assigning Structure of 1,2,3-Triazoles
The Journal of Organic Chemistry, 20121,4-Disubstituted-1H-1,2,3-triazoles 1 can easily be distinguished from the isomeric 1,5-disubstituted-1H-1,2,3-triazoles 2 by simple one-dimensional (13)C NMR spectroscopy using gated decoupling. The C(5) signal of 1 appears at δ ∼120 ppm, while the C(4) signal of 2 appears at δ ∼133 ppm. Computational studies also predict the upfield shift of C(5) of
Xavier, Creary +4 more
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