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Molecular Electrostatic Potential Topology Analysis of Noncovalent Interactions.
Accounts of Chemical Research, 2023ConspectusThe topology of molecular electrostatic potential (MESP), V(r), derived from a reliable quantum chemical method has been used as a powerful tool for the study of intermolecular noncovalent interactions.
C. Suresh, S. Anila
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Computers & Chemical Engineering, 2019
Abstract In the learning techniques based on kernel or orthogonal basis functions, the nonlinearity in the underlying complex dynamic process is modelled by a linear combination of a set of kernel or orthogonal basis functions. Once these functional parameters are selected, the learning task boils down to solving linear least squares (LS).
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Abstract In the learning techniques based on kernel or orthogonal basis functions, the nonlinearity in the underlying complex dynamic process is modelled by a linear combination of a set of kernel or orthogonal basis functions. Once these functional parameters are selected, the learning task boils down to solving linear least squares (LS).
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Journal of Reinforced Plastics and Composites, 2017
Polymer matrix composite tanks offer major advantages to the transport industry in terms of increased payload and corrosion resistance compared to conventional steel tanks. Chemical resistance and versatility can be enhanced through the addition of a thermoplastic liner. This paper presents the results of chemical conditioning, testing and analysis of
Luke P Djukic +4 more
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Polymer matrix composite tanks offer major advantages to the transport industry in terms of increased payload and corrosion resistance compared to conventional steel tanks. Chemical resistance and versatility can be enhanced through the addition of a thermoplastic liner. This paper presents the results of chemical conditioning, testing and analysis of
Luke P Djukic +4 more
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Mechanical, Chemical and Morphological Analysis of Crab shell/Sisal Natural Fiber Hybrid Composites
, 2019Natural fiber-reinforced hybrid composites find wide applications in recent decades owing to its biodegradability, low density, and low-cost benefits. The work reported investigates, the effect of adding crab shell particles over sisal-reinforced epoxy ...
A. Soundhar, Jayakrishna Kandasamy
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NBO 7.0: New vistas in localized and delocalized chemical bonding theory
Journal of Computational Chemistry, 2019We briefly outline some leading features of the newest version, NBO 7.0, of the natural bond orbital (NBO) wavefunction analysis program. Major extensions include: (1) a new NPEPA module implementing Karafiloglou's “polyelectron population analysis” in ...
E. Glendening, C. Landis, F. Weinhold
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Analytical Chemistry, 2009
Atmospheric pressure chemical ionization-tandem mass spectrometry (APCI-MS/MS) was applied for the first time to the direct analysis of octamethylcyclotetrasiloxane (D4) and decamethylcyclopentasiloxane (D5) in gaseous matrixes without extraction or prior chromatographic separation.
Koffi, Badjagbo +4 more
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Atmospheric pressure chemical ionization-tandem mass spectrometry (APCI-MS/MS) was applied for the first time to the direct analysis of octamethylcyclotetrasiloxane (D4) and decamethylcyclopentasiloxane (D5) in gaseous matrixes without extraction or prior chromatographic separation.
Koffi, Badjagbo +4 more
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Industrial Crops and Products, 2014
Abstract Pre-soaked flax stems were subjected to microwave assisted retting at different power levels and the effectiveness of microwave assisted retting was studied through the analysis of chemical compounds presented in the retted flax fibers processed from the stems. Response surface statistical design was used for this study with JMP® 10 software.
Nair, G.R. +5 more
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Abstract Pre-soaked flax stems were subjected to microwave assisted retting at different power levels and the effectiveness of microwave assisted retting was studied through the analysis of chemical compounds presented in the retted flax fibers processed from the stems. Response surface statistical design was used for this study with JMP® 10 software.
Nair, G.R. +5 more
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Infrared Pseudo Matrix Isolation: A Catalog of Spectra for Chemical Analysis
1970Spectrometry is becoming increasingly relevant in fuel research. As our consumption of fuels is growing, our concern for the multidisciplinary problems of environmental control becomes more pressing. Here, chemistry is deeply implicated. Fundamental questions remain to be answered, and there is an insistent demand for technological solutions to well ...
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Chemical Geology, 1975
Abstract The atomic absorption spectrometric determinations of iron, calcium, and magnesium in the fluoboric-boric acids matrix are seriously interfered by the presence of silicon and aluminum. These interferences can be overcome by preparing the standard solutions of magnesium, calcium, and iron with silicon and aluminum concentrations matching ...
Roger W. Lee, Necip Güven
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Abstract The atomic absorption spectrometric determinations of iron, calcium, and magnesium in the fluoboric-boric acids matrix are seriously interfered by the presence of silicon and aluminum. These interferences can be overcome by preparing the standard solutions of magnesium, calcium, and iron with silicon and aluminum concentrations matching ...
Roger W. Lee, Necip Güven
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Spectrochimica Acta Part A: Molecular Spectroscopy, 1971
Abstract Matrix spectroscopy is useful as an analytical tool provided certain fundamental modifications are made in experimental technique. Apparatus requirements and sample preparation procedures are detailed. Only conventional spectrometric instrumentation is used.
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Abstract Matrix spectroscopy is useful as an analytical tool provided certain fundamental modifications are made in experimental technique. Apparatus requirements and sample preparation procedures are detailed. Only conventional spectrometric instrumentation is used.
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