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51.
George Pitsevich Elena Shalamberidze Alex Malevich Valdas Sablinskas Vytautas Balevicius Lars G. M. Pettersson 《Molecular physics》2017,115(20):2605-2613
The frequencies and intensities of vibration–rotational transitions of water molecules in an argon matrix were calculated for temperatures of 6 and 30 K. The rigid asymmetric top approximation was used with available literature values of the effective rotational constants in the ground and excited vibrational states. The calculations were carried out by taking into account the existence of a non-equilibrium population distribution between the rotational levels of ortho- and para-water isomers. It was assumed that the temperature relaxation of the population of rotational levels is independent of the ortho- and para-isomers. Comparison of the results of the theoretical calculations with experimental literature data shows good agreement for the majority of the rotational structure lines for symmetric and antisymmetric stretching vibrations both in the frequency values and in the values of the relative intensities. 相似文献
52.
Anaí Duarte Wilson Cunico Claudio M.P. Pereira Alex F.C. Flores Rogério A. Freitag Geonir M. Siqueira 《Ultrasonics sonochemistry》2010,17(2):281-283
An ultrasound-enhanced method has been developed for the synthesis of a variety of thioesters from benzoyl chlorides and 2-mercaptobenzoxa(thia)zoles. Applying this methodology, 14 compounds were synthesized in excellent yields. 相似文献
53.
The effects of power ultrasound on four metal-nonmetal powdered systems: copper-sulphur iron-sulphur, zinc-sulphur and magnesium-sulphur in various solvents, such as hexane and carbon disulphide, are briefly examined here. For each system, a sonication time of 30 min was affected. The sonicated products are analysed by X-ray diffraction, X-ray fluorescence and atomic absorption spectrophotometry to determine their qualitative and quantitative compositions and the percentage yields of the products obtained are then compared and discussed. 相似文献
54.
We study the existence of strange nonchaotic attractors (SNA) in the family of Harper maps. We prove that for a set of parameters of positive measure, the map possesses a SNA. However, the set is nowhere dense. By changing the parameter arbitrarily small amounts, the attractor is a smooth curve and not a SNA. 相似文献
55.
56.
Mourad Benlamri Kyle M. Bothe Alex M. Ma Gem Shoute Amir Afshar Himani Sharma Arash Mohammadpour Manisha Gupta Kenneth C. Cadien Ying Y. Tsui Karthik Shankar Douglas W. Barlage 《固体物理学:研究快报》2014,8(10):871-875
A high effective electron mobility of 33 cm2 V–1 s–1 was achieved in solution‐processed undoped zinc oxide (ZnO) thin films. The introduction of silicon nitride (Si3N4) as growth substrate resulted in a mobility improvement by a factor of 2.5 with respect to the commonly used silicon oxide (SiO2). The solution‐processed ZnO thin films grown on Si3N4, prepared by low‐pressure chemical vapor deposition, revealed bigger grain sizes, lower strain and better crystalline quality in comparison to the films grown on thermal SiO2. These results show that the nucleation and growth mechanisms of solution‐processed films are substrate dependent and affect the final film structure accordingly. The substantial difference in electron mobilities suggests that, in addition to the grain morphology and crystalline structure effects, defect chemistry is a contributing factor that also depends on the particular substrate. In this respect, interface trap densities measured in high‐κ HfO2/ZnO MOSCAPs were about ten times lower in those fabricated on Si3N4 substrates. (© 2014 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)
57.
Gustavo A. Narvaez Lixin He Gabriel Bester Alex Zunger 《Physica E: Low-dimensional Systems and Nanostructures》2006,32(1-2):93
We show how an atomistic pseudopotential plus many-body configuration interaction theory can address the main spectroscopic features of self-assembled dots including, excitons, trions, biexcitons, fine-structure, charging spectra as well as electric-field dependence of entanglement in dot molecules. 相似文献
58.
We find that a defect state treatment of localized excitations in LiF within the local density functional formalism accounts remarkably well for the observed experimental (core plus optical gap) excitations — in contrast to the failure of the one-electron band model. We show that when electron relaxation, self-interaction and charge polarization effects are taken into account by treating the excitation as a localized points defect, the improved band model predicts the correct excitation and interband states. 相似文献
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60.
Satoka Aoyagi John S. Fletcher Sadia Sheraz Tomoko Kawashima Irma Berrueta Razo Alex Henderson Nicholas P. Lockyer John C. Vickerman 《Analytical and bioanalytical chemistry》2013,405(21):6621-6628
A novel application of time-of-flight secondary ion mass spectrometry (ToF-SIMS) with continuous Ar cluster beams to peptide analysis was investigated. In order to evaluate peptide structures, it is necessary to detect fragment ions related to multiple neighbouring amino acid residues. It is, however, difficult to detect these using conventional ToF-SIMS primary ion beams such as Bi cluster beams. Recently, C60 and Ar cluster ion beams have been introduced to ToF-SIMS as primary ion beams and are expected to generate larger secondary ions than conventional ones. In this study, two sets of model peptides have been studied: (des-Tyr)-Leu-enkephalin and (des-Tyr)-Met-enkephalin (molecular weights are approximately 400 Da), and [Asn1 Val5]-angiotensin II and [Val5]-angiotensin I (molecular weights are approximately 1,000 Da) in order to evaluate the usefulness of the large cluster ion beams for peptide structural analysis. As a result, by using the Ar cluster beams, peptide molecular ions and large fragment ions, which are not easily detected using conventional ToF-SIMS primary ion beams such as Bi3 +, are clearly detected. Since the large fragment ions indicating amino acid sequences of the peptides are detected by the large cluster beams, it is suggested that the Ar cluster and C60 ion beams are useful for peptide structural analysis. 相似文献