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1.
Attila Kovács 《International journal of quantum chemistry》2020,120(1):e26051
Lanthanide dinitrogen complexes, Ln(N2) x (x = 1-8), were investigated by Density Functional Theory computations using the B3LYP exchange-correlation functional in conjunction with quasirelativistic pseudopotentials for Ln. After a recent study on the lanthanum complexes (A. Kovács, Structural Chemistry 2018 , 29, 1825), the present study aimed to probe the changes upon variously filled 4f subshells of Ln on the structures, stabilities, and bonding properties in related complexes of Nd, Ho, and Lu. The bonding properties were assessed on the basis of natural atomic charges, Ln valence orbital populations, and analysis of bonding molecular orbitals. 相似文献
2.
András Gy. Németh Renáta Szabó Dr. Attila Domján Prof. György M. Keserű Dr. Péter Ábrányi-Balogh 《ChemistryOpen》2021,10(1):16-27
The development of a new three-component chromatography-free reaction of isocyanides, amines and elemental sulfur allowed us the straightforward synthesis of thioureas in water. Considering a large pool of organic and inorganic bases, we first optimized the preparation of aqueous polysulfide solution from elemental sulfur. Using polysulfide solution, we were able to omit the otherwise mandatory chromatography, and to isolate the crystalline products directly from the reaction mixture by a simple filtration, retaining the sulfur in the solution phase. A wide range of thioureas synthesized in this way confirmed the reasonable substrate and functional group tolerance of our protocol. 相似文献
3.
Z. V. Golubenko A. S. Kamzin L. P. Ol’khovik M. M. Khvorov Z. I. Sizova V. P. Shabatin 《Physics of the Solid State》2002,44(9):1698-1702
Magnetization and remagnetization processes in a close-packed nanodispersed barium hexaferrite powder sample in the magnetically stable state were analyzed. Reversibility effects were discussed in terms of interparticle interaction. Judging from the magnetization curve and the parameters characterizing remagnetization irreversibility, the sample under study is a model system of small Stoner-Wohlfarth particles. 相似文献
4.
Julien Ferrari Christian Terreaux Tibor Kurtn Attila Szikszai‐Kiss Sndor Antus JeromeD. Msonthi Kurt Hostettmann 《Helvetica chimica acta》2003,86(8):2768-2778
Investigation of the methanol extract of the roots of Gnidia involucrata (Thymelaeaceae) led to the isolation and characterization of two new 3,8″‐biflavonoid diastereoisomers, named GB‐4 ( 6a ) and GB‐4a ( 6b ). Their absolute configurations were determined in mixture by on‐line LC/CD measurements, which also allowed the revision of absolute configurations of the biflavanoids GB‐1 and GB‐2, and the configurational assignment of GB‐3. 相似文献
5.
Yu. B. Bolkhovityanov S. Ts. Krivoshchapov A. I. Nikiforov B. Z. Ol’shanetskii O. P. Pchelyakov L. V. Sokolov S. A. Teys 《Physics of the Solid State》2004,46(1):64-66
Different techniques for the fabrication of structures containing ensembles of ultrasmall germanium nanoclusters distributed with a high density over the substrate surface are discussed. How to control the morphology and ordering of these ensembles is also discussed. 相似文献
6.
The concept of rigid sphericalt-designs was introduced by Bannai. He conjectured that there is a functionf(t, d) such that ifX is a sphericalt design in thed-dimensional Euclidean space so that |X|>f(t, d), theX is non-rigid. Furthermore, he asked to find examples of rigid but not tight sperical designs. In the present article we shall investigate the case whenX is an orbit of a finite reflection group and prove thatX is rigid iff tight for the groupsA
n
,B
n
,C
n
,D
n
,E
6,E
7,F
4,I
3.Research was partially supported by Hungarian National Research fund Grant No. 4267. 相似文献
7.
The diffusion of Ni on a Si (111) surface is investigated by LEED and Auger electron spectroscopy. It is found that, in contrast
to the process on the initially clean Si (111)−7×7 surface, on Si (111) surfaces with submonolayer Co coverages the nature
of the Ni transport mechanism changes at a temperature of about 750 °C, and the Ni surface diffusion coefficients increase
sharply below this temperature.
Pis’ma Zh. éksp. Teor. Fiz. 66, No. 9, 611–614 (10 November 1997) 相似文献
8.
In this paper the effects of surface roughness and annealing temperature (T) of latex coating films on adhesion are discussed for the different stages of the film formation process. The surface free energy of latex films was assessed in terms of practical work of adhesion (W) (or adherence) using a custom-built adhesion-testing device (ATD), atomic force microscopy (AFM), and contact angle measurements. For preannealed latex films surface roughness averages (Ra) were determined from AFM height images and were related to the values of W obtained from ATD measurements at room temperature. The results obtained using these tests exhibiting surface behavior on different length scales indicate a dependence of the measured adhesion on surface roughness and temperature, as well as on the length scale of the measurements.First preannealed samples were studied, which were obtained by heat treatment above the respective glass transition temperatures (Tg). Increasing the temperature of preannealing resulted in a decrease of the adherence observed in ATD experiments at room temperature. However, on the nanoscale, using AFM, no significant variation of the adherence was observed. This observation can be explained by roughness arguments. Preannealing decreases roughness which results in lower adherence values measured by ATD while for essentially single asperity AFM experiments roughness has an insignificant effect. Specimens were also annealed over a constant period of time (90 min) at different temperatures. At the end of the heat treatment, adhesion was measured at the treatment temperature by ATD. The amplified effect of temperature observed in this case on adherence is attributed to the combination of roughness decrease and increasing test temperature. In a third set of experiments completely annealed samples were studied by ATD as well as by AFM as a function of temperature. With increasing T values ATD showed a decrease in adherence, which is attributed to a decreasing surface free energy of the annealed films at elevated T values. AFM, on the other hand, showed an opposite trend which is assigned to increasing penetration of the tip into the tip/wetting polymer samples versus increasing temperature. Finally, annealing isotherms as a function of time were investigated by ATD in situ at different temperatures. This last set of experiments allowed us to optimize annealing time and temperature to achieve complete curing. 相似文献
9.
The electrodynamic properties of the interface between two periodic dielectric superlattices are studied. It is shown that
the interface may serve as a guide for an electromagnetic wave whose field decays exponentially on both sides of the plane
of the interface. The field and power flux distributions, as well as the frequency dependence of the field penetration depth,
are studied. 相似文献
10.
Zh. D. Chaplanova Yu. K. Mikhailovskii V. E. Agabekov V. K. Ol’khovik N. A. Galinovskii E. A. Gracheva 《Journal of Applied Spectroscopy》2007,74(3):333-337
We have studied the spectral properties and morphology of thin films (TVD films) formed by thermal vacuum deposition of 4,4′-bis[(E)-1-(1,3-benzoxazol-2-yl)-2-ethenyl]-1,1′-biphenyl
and its substituted derivatives. We have shown that introducing bulky 2,2′-oxyhexyl substituents into the biphenyl units leads
to a shift of the fluorescence maximum for the TVD films toward shorter wavelengths, a decrease in their photostability, and
aggregation of the films during storage.
__________
Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 3, pp. 300–303, May–June, 2007. 相似文献