Search results for "DF"
showing 10 items of 1699 documents
Mechanism of photoluminescence in intrinsically disordered CaZrO3 crystals: First principles modeling of the excited electronic states
2017
Abstract CaZrO3 (CZO) powders obtained by the polymeric precursor method at 400 °C, and then, the samples were annealed at different temperatures (400, 600, 800, and 1000 °C) and characterized by X-ray diffraction, Raman and ultraviolet–visible spectroscopic methods, along with photoluminescence (PL) emissions. First principle calculations based on the density functional theory (DFT), using a periodic cell models, provide a theoretical framework for understanding the PL spectra based on the localization and characterization of the ground and electronic excited states. Fundamental (singlet, s ) and excited (singlet, s* , and triplet, t* ) electronic states were localized and characterized us…
Impact of the ΔPhe configuration on the Boc-Gly-ΔPhe-NHMe conformation: experiment and theory
2019
Conformational propensities of N-t-butoxycarbonyl-glycine-(E/Z)-dehydrophenylalanine N′-methylamides (Boc-Gly-(E/Z)-ΔPhe-NHMe) in chloroform were investigated by NMR and IR techniques. The low-temperature crystal structure of the E isomer was determined by single crystal X-ray diffraction and the experimental data were elaborated by theoretical calculations using DFT (B3LYP, M06-2X) and MP2 approaches. The β-turn tendencies for both isomers were determined in the gas phase and in the presence of solvent. The obtained results reveal that the configuration of ΔPhe residue significantly affects the conformations of the studied dehydropeptides. The tendency to adopt β-turn conformations is sign…
What a Friend We Have in Facebook : Norwegian Christian Churches’ Use of Social Media
2021
This study examines how Christian churches in Norway use social media. The key finding is that the churches do not take extensive advantage of the opportunities for two-way communication offered by the platforms, but primarily use their social media channels to promote church activities or broadcast content without inviting a dialogue. Based on the churches’ own stated appreciation for building relationships, as well as existing research from media and communication studies, media and religion studies, and studies within strategic communication, this article argues for a stronger focus on the ritual and relational aspects of online communication from the church organizations. Pais Open Acce…
Experimental and theoretical characterization of chelidonic acid structure
2022
Abstract Chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid) is present in plants of Papaveraceae family, especially in Chelidonium majus. Due to its anticancer, antibacterial, hepatoprotective, and antioxidant properties, it has been used in medical treatments. In this work, the X-ray structure of methanol solvate of chelidonic acid was determined. Layers of chelidonic acid are held by hydrogen bonds via COOH and C = O fragments and additionally bridged by methanol. The formed H-bond network between two acid units is different from typical –COOH dimers observed, e.g., in crystals of isophtalic acid. The molecular structure of 2,6-dimethyl-γ-pyrone (2Me4PN) and chelidonic acid, a 2,6-dic…
On the weight distribution of perfect binary codes
2021
In this paper, we give a new proof of the closed-form formula for the weight distribution of a perfect binary single-error-correcting code.
Epichristoffel Words and Minimization of Moore Automata
2014
This paper is focused on the connection between the combinatorics of words and minimization of automata. The three main ingredients are the epichristoffel words, Moore automata and a variant of Hopcroft's algorithm for their minimization. Epichristoffel words defined in [14] generalize some properties of circular sturmian words. Here we prove a factorization property and the existence of the reduction tree, that uniquely identifies the structure of the word. Furthermore, in the paper we investigate the problem of the minimization of Moore automata by defining a variant of Hopcroft's minimization algorithm. The use of this variant makes simpler the computation of the running time and consequ…
Algorithmic Information Theory and Computational Complexity
2013
We present examples where theorems on complexity of computation are proved using methods in algorithmic information theory. The first example is a non-effective construction of a language for which the size of any deterministic finite automaton exceeds the size of a probabilistic finite automaton with a bounded error exponentially. The second example refers to frequency computation. Frequency computation was introduced by Rose and McNaughton in early sixties and developed by Trakhtenbrot, Kinber, Degtev, Wechsung, Hinrichs and others. A transducer is a finite-state automaton with an input and an output. We consider the possibilities of probabilistic and frequency transducers and prove sever…
Transition Function Complexity of Finite Automata
2011
State complexity of finite automata in some cases gives the same complexity value for automata which intuitively seem to have completely different complexities. In this paper we consider a new measure of descriptional complexity of finite automata -- BC-complexity. Comparison of it with the state complexity is carried out here as well as some interesting minimization properties are discussed. It is shown that minimization of the number of states can lead to a superpolynomial increase of BC-complexity.
On the Hierarchy Classes of Finite Ultrametric Automata
2015
This paper explores the language classes that arise with respect to the head count of a finite ultrametric automaton. First we prove that in the one-way setting there is a language that can be recognized by a one-head ultrametric finite automaton and cannot be recognized by any k-head non-deterministic finite automaton. Then we prove that in the two-way setting the class of languages recognized by ultrametric finite k-head automata is a proper subclass of the class of languages recognized by (k + 1)-head automata. Ultrametric finite automata are similar to probabilistic and quantum automata and have only just recently been introduced by Freivalds. We introduce ultrametric Turing machines an…
Querying the Guarded Fragment with Transitivity
2016
We study the problem of answering a union of Boolean conjunctive queries q against a database Δ, and a logical theory φ which falls in the guarded fragment with transitive guards (GF + TG). We trace the frontier between decidability and undecidability of the problem under consideration. Surprisingly, we show that query answering under GF2 + TG, i.e., the two-variable fragment of GF + TG, is already undecidable (even without equality), whereas its monadic fragment is decidable; in fact, it is 2exptime-complete in combined complexity and coNP-complete in data complexity. We also show that for a restricted class of queries, query answering under GF+TG is decidable. © 2013 Springer-Verlag.