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31.
32.
Andreas Lemmerer 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(5):480-482
Joel Bernstein was a gentle giant in the field of organic solid‐state chemistry and a person who inspired anyone who was in his presence and attended his charismatic lectures over the five decades of his academic career. This commentary looks at his scientific publishing career. 相似文献
33.
《Magnetic resonance in chemistry : MRC》2018,56(8):767-774
A systematic study of the accuracy factors for the computation of 15N NMR chemical shifts in comparison with available experiment in the series of 72 diverse heterocyclic azines substituted with a classical series of substituents (CH3, F, Cl, Br, NH2, OCH3, SCH3, COCH3, CONH2, COOH, and CN) providing marked electronic σ‐ and π‐electronic effects and strongly affecting 15N NMR chemical shifts is performed. The best computational scheme for heterocyclic azines at the DFT level was found to be KT3/pcS‐3//pc‐2 (IEF‐PCM). A vast amount of unknown 15N NMR chemical shifts was predicted using the best computational protocol for substituted heterocyclic azines, especially for trizine, tetrazine, and pentazine where experimental 15N NMR chemical shifts are almost totally unknown throughout the series. It was found that substitution effects in the classical series of substituents providing typical σ‐ and π‐electronic effects followed the expected trends, as derived from the correlations of experimental and calculated 15N NMR chemical shifts with Swain–Lupton's F and R constants. 相似文献
34.
Yuhua Long 《Journal of Difference Equations and Applications》2020,26(7):966-986
In the present paper, we apply the method of invariant sets of descending flow to establish a series of criteria to ensure that a second-order nonlinear functional difference equation with periodic boundary conditions possesses at least one trivial solution and three nontrivial solutions. These nontrivial solutions consist of sign-changing solutions, positive solutions and negative solutions. Moreover, as an application of our theoretical results, an example is elaborated. Our results generalize and improve some existing ones. 相似文献
35.
ABSTRACT In this paper, we present a systematic roadmap for developing a robust and parallel multi-material reactive hydrodynamic solver that integrates historically stable algorithms with new and current modern methods to solve explosive system design problems. The Ghost Fluid Method and Riemann solvers were used to enforce appropriate interface boundary conditions. Improved performance in terms of computational work and convergence properties was achieved by modifying a local node sorting strategy that decouples ghost nodes, allowing us to set material boundary conditions via an explicit procedure, removing the need to solve a coupled system of equations numerically. The locality and explicit nature of the node sorting concept allows for greater levels of parallelism and lower computational cost when populating ghost nodes. Non-linear numerical issues endemic to the use of real Equations of State in hydro-codes were resolved by using more thermodynamically consistent forms allowing us to accurately resolve large density gradients associated with high energy detonation problems at material interfaces. Pre-computed volume tables were implemented adding to the robustness of the solver base. 相似文献
36.
37.
Difference systems of sets (DSS) are combinatorial configurations that arise in connection with code synchronization. This paper proposes a new method to construct DSSs, which uses known DSSs to partition some of the cosets of Zv relative to subgroup of order k, where v = km is a composite number. As applications, we obtain some new optimal DSSs. 相似文献
38.
《Journal of the Egyptian Mathematical Society》2014,22(1):55-58
In this paper, following the line of recent work of Savaş et al. [20] we apply the notion of ideals to A-statistical limit superior and inferior for a sequence of real numbers. 相似文献
39.
《International Journal of Approximate Reasoning》2014,55(7):1606-1608
This note replies to comments made on our contribution to the Low Quality Data debate. 相似文献
40.
Wies?awa T. Obuchowska 《European Journal of Operational Research》2012,218(1):58-67
In this paper we address the problem of the infeasibility of systems defined by reverse convex inequality constraints, where some or all of the variables are integer. In particular, we provide a polynomial algorithm that identifies a set of all constraints critical to feasibility (CF), that is constraints that may affect a feasibility status of the system after some perturbation of the right-hand sides. Furthermore, we will investigate properties of the irreducible infeasible sets and infeasibility sets, showing in particular that every irreducible infeasible set as well as infeasibility sets in the considered system, are subsets of the set CF of constraints critical to feasibility. 相似文献