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1.
Here we comment on the thermodynamic inconsistency problem and the reformulation of statistical mechanics of widely studied quasiparticle models of quark–gluon plasma. Their starting relation, the expression for pressure itself is a wrong choice and lead to thermodynamic inconsistency and the requirements of the reformulation of statistical mechanics. We propose a new approach to the problem using the standard statistical mechanics and is thermodynamically consistent. We also show that the other quasiparticle models may be obtained from our general formalism as a special case under certain restrictive condition. Further, as an example, we have applied our model to explain the nonideal behaviour of gluon plasma and obtained a remarkable good fit to the lattice results by adjusting just a single parameter. 相似文献
2.
Basic salts of Co(II) crystallize in the rhombohedral structure. Two different polytypes, 3R1 and 3R2, with distinct stacking sequences of the metal hydroxide slabs, are possible within the rhombohedral structure. These polytypes are generated by simple translation of successive layers by (2/3, 1/3, z) or (1/3, 2/3, z). The symmetry of the anion and the mode of coordination influences polytype selection. Cobalt hydroxynitrate crystallizes in the structure of the 3R2 polytype while the hydroxytartarate, hydroxychloride and α-cobalt hydroxide crystallize in the structure of the 3R1 polytype. Cobalt hydroxysulfate is turbostratically disordered. The turbostratic disorder is a direct consequence of the mismatch between the crystallographically defined interlayer sites generated within the crystal and the tetrahedral symmetry of the SO42− ions. 相似文献
3.
Suitably functionalized 3-carbomethoxy/cyano-2H-pyran-2-ones are excellent synthons for the synthesis of arenes and heteroarenes of therapeutic importance. The compounds 6-aryl-3-cyano-4-methylsulfanyl-2H-pyran-2-ones have been transformed into bridgedhead azolopyrimidines and imidazothiazines through thermal and base-induced ring transformation reactions with aminoazoles and imidazolidin-2-thiones, respectively. 相似文献
4.
5.
Philippe Schwaller Riccardo Petraglia Valerio Zullo Vishnu H. Nair Rico Andreas Haeuselmann Riccardo Pisoni Costas Bekas Anna Iuliano Teodoro Laino 《Chemical science》2020,11(12):3316
We present an extension of our Molecular Transformer model combined with a hyper-graph exploration strategy for automatic retrosynthesis route planning without human intervention. The single-step retrosynthetic model sets a new state of the art for predicting reactants as well as reagents, solvents and catalysts for each retrosynthetic step. We introduce four metrics (coverage, class diversity, round-trip accuracy and Jensen–Shannon divergence) to evaluate the single-step retrosynthetic models, using the forward prediction and a reaction classification model always based on the transformer architecture. The hypergraph is constructed on the fly, and the nodes are filtered and further expanded based on a Bayesian-like probability. We critically assessed the end-to-end framework with several retrosynthesis examples from literature and academic exams. Overall, the frameworks have an excellent performance with few weaknesses related to the training data. The use of the introduced metrics opens up the possibility to optimize entire retrosynthetic frameworks by focusing on the performance of the single-step model only.We present an extension of our Molecular Transformer model combined with a hyper-graph exploration strategy for automatic retrosynthesis route planning without human intervention. 相似文献
6.
Rishikesh Yadav Ramakanta Meher Vishnu Narayan Mishra 《Mathematical Methods in the Applied Sciences》2019,42(18):7172-7191
In this paper, we study the approximation properties of bivariate summation‐integral–type operators with two parameters . The present work deals within the polynomial weight space. The rate of convergence is obtained while the function belonging to the set of all continuous and bounded function defined on ([0],∞)(×[0],∞) and function belonging to the polynomial weight space with two parameters, also convergence properties, are studied. To know the asymptotic behavior of the proposed bivariate operators, we prove the Voronovskaya type theorem and show the graphical representation for the convergence of the bivariate operators, which is illustrated by graphics using Mathematica. Also with the help of Mathematica, we discuss the comparison by means of the convergence of the proposed bivariate summation‐integral–type operators and Szász‐Mirakjan‐Kantorovich operators for function of two variables with two parameters to the function. In the same direction, we compute the absolute numerical error for the bivariate operators by using Mathematica and is illustrated by tables and also the comparison takes place of the proposed bivariate operators with the bivariate Szász‐Mirakjan operators in the sense of absolute error, which is represented by table. At last, we study the simultaneous approximation for the first‐order partial derivative of the function. 相似文献
7.
Chilakapati Venkata Vishnu Vardhan Sajal Ghosh Subramaniam Nagaraj Raghavachary Sridharan Thiagarajan Gnanasekaran 《Journal of Thermal Analysis and Calorimetry》2013,112(1):127-131
A study of binary, CaBr2–CaHBr system was carried out by differential thermal analysis (DTA), covering the composition range from 100 % CaBr2 to 100 % CaHBr between room temperature and 800 °C. From DTA results, the contour of solidus and liquidus temperatures with composition is plotted and the phase diagram of CaBr2–CaHBr system is constructed. The system shows an eutectic reaction at 576 °C and the eutectic composition is 79.6 mol% CaBr2. Co-existing phases in different phase fields are characterized by X-ray diffraction analysis. 相似文献
8.
Reaction of 2-benzoyl-6-hydroxy-3-methyl-5-(2′-substituted-2′,3′-dihydro-1,5-benzothiazein-4′-yl) benzofurans (4a-f) with a mixture of acetic anhydride and pyridine afforded 6-acetoxy-2-benzoyl-3-methyl-5-(3′-acetyl-2′-substitutedstyryl-2′,3′-dihydrobenzothiazole-2′-yl) benzofurans (5a-f) as sole products in good yields. A reaction mechanism for the ring contraction is proposed. All the compounds (5a-f) were screened for their antifeedant activity by the “Non-Choice test method” using 6 h prestarved fourth instar larvae of Spodoptera litura F. Compounds 5a, 5c and 5d exhibited highest antifeedant activity. 相似文献
9.
The synthesis and characterisation of some new 1,5-benzodiazepines prepared from 4,6-diacetylresorcinol is reported. 相似文献
10.
An efficient, novel, and concise one pot regio- and chemoselective synthesis of benzo[a]phenazines (4) and naphtho[2,3-d]imidazoles (8) has been accomplished in excellent yields by nucleophilic substitution reaction of 2,3-dichloro-1,4-naphthoquinone (1) with o-phenylenediamine (2) and benzamidines (7) respectively ‘in H2O’ using base and micelles (SDS) as catalyst. Analog reaction of 2,3-dichloro-1,4-naphthoquinone (1) with 2-aminobenzenethiol (9) under identical conditions led to formation of a mixture of benzo[b]phenothiazine (10), benzo[a]phenothiazine (11), and benzo[a]-1,4-benzothiazino-3,2-phenothiazine (12) in 17%, 23%, and 57% yields, respectively. 相似文献