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Karolina Kula Agnieszka Kcka-Zych Agnieszka apczuk-Krygier Zbigniew Wzorek Anna K. Nowak Radomir Jasiski 《Molecules (Basel, Switzerland)》2021,26(5)
The present paper is a continuation of comprehensive study regarding to synthesis and properties of pyrazoles and their derivatives. In its framework an experimental and theoretical studies of thermal decomposition of the 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline were performed. It was found, that the decompositions of the mentioned pyrazoline system in the solution and at the melted state proceed via completely different molecular mechanisms. These mechanisms have been explained in the framework of the Molecular Electron Density Theory (MEDT) with the computational level of B3LYP/6-31G(d). A Bonding Evolution Theory (BET) examination of dehydrochlorination of the 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline permits elucidation of the molecular mechanism. It was found, that on the contrary for most known HCl extrusion processes in solution, this reaction is realised via single-step mechanism. 相似文献
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M. A. Augustyniak-Jabłokow K. Łukaszewicz A. Pietraszko V. E. Petrashen Yu. V. Yablokov 《Physics of the Solid State》2002,44(8):1480-1483
The EPR spectra evolution of Cs2Zn1?x Cux(ZrF6)2 · 6H2O (x=0.01, 0.6, 0.8, and 1.0) in the temperature range 4.2–330 K and the x-ray structure analysis of the compound with x=1.0 in the range 150–327 K show that the Jahn-Teller (JT) complex Cu(H2O)6 coordination sphere undergoes a plastic deformation. The observed effect is due to the combined influence of small lattice strains existing in the paraphase and a new one appearing as a result of a ferroelastic phase transition and increasing with decreasing temperature below T c . It is proved that both cooperative interactions between JT complexes and ferroelastic strain stabilize a certain JT configuration. The problem of instability of a JT configuration compressed at T ~ 265 K is discussed. 相似文献
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Jacek Doskocz Jadwiga Sołoducho Joanna Cabaj Mieczysław Łapkowski Sylwia Golba Krystyna Palewska 《Electroanalysis》2007,19(13):1394-1401
A convenient and higher yielding synthetic route to N‐alkyl‐bis(thiophene)phenothiazine derivatives is reported and their aggregation, electrochemical properties and polymerization are characterized. The key step in the synthesis of this group of compounds has been the Stille type coupling reaction between the N‐alkyldibromophenothiazine and tin derivatives of thiophene as the best way for preparation of conjugated N‐alkylphenothiazine derivatives. For this group of compounds we also present an electrochemical polymerization effect and widely adopted approach to prepare structurally ordered thin, electroconducting films by Langmuir–Blodgett technique. 相似文献
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J. Łukasik G. Auger M. L. Begemann-Blaich N. Bellaize R. Bittiger F. Bocage B. Borderie R. Bougault B. Bouriquet J. L. Charvet A. Chbihi R. Dayras D. Durand J. D. Frankland E. Galichet D. Gourio D. Guinet S. Hudan P. Lautesse F. Lavaud A. Le Fèvre R. Legrain O. Lopez U. Lynen W. F. J. Müller L. Nalpas H. Orth E. Plagnol E. Rosato A. Saija C. Schwarz C. Sfienti B. Tamain W. Trautmann A. Trzciński K. Turzó E. Vient M. Vigilante C. Volant B. Zwiegliński 《Acta Physica Hungarica A》2006,25(2-4):229-239
Directed and elliptic flow for the 197Au+197Au system at incident energies between 40 and 150 MeV per nucleon has been measured using the INDRA 4π multi-detector. For semi-central collisions, the excitation function of elliptic flow shows a transition from in-plane to out-of-plane emission at around 100 MeV per nucleon. The directed flow changes sign at a bombarding energy between 50 and 60 MeV per nucleon and remains negative at lower energies. Molecular dynamics calculations (CHIMERA) indicate sensitivity of the global squeeze-out transition on the σ NN and demonstrate the importance of angular momentum conservation in transport codes at low energies. 相似文献
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Zbigniew Jaskólski 《Communications in Mathematical Physics》1991,139(2):353-375
Following the general scheme of the convariant path integral quantization of gauge systems, two alternative formulations of
the first quantized closed bosonic string in a position representation are presented. In both approaches the covariant path
integral representations of the propagator and of the higher order off-shell amplitudes are constructed. For a wide class
of gauges the explicit formulae for off-shell amplitudes are obtained. This paper is the continuation of our previous work
where the corresponding problems in the open string case were considered [20]. 相似文献