Search results for "IP"
showing 10 items of 57540 documents
Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism.
2018
Vibrational circular dichroism (VCD) is a spectroscopic technique used to resolve the absolute configuration of chiral systems. Obtaining a theoretical VCD spectrum requires computing atomic polar and axial tensors on top of the computationally demanding construction of the force constant matrix. In this study we evaluated a VCD model in which all necessary quantities are obtained with density functional based tight binding (DFTB) theory. The analyzed DFTB parametrizations fail at providing accurate vibrational frequencies and electric dipole gradients but yield reasonable normal modes at a fraction of the computational cost of density functional theory (DFT). Thus, by applying DFTB in comp…
Hard cap espresso extraction and liquid chromatography determination of bioactive compounds in vegetables and spices
2017
Abstract A new analytical procedure, based on liquid chromatography with diode array and fluorescence detection, has been proposed for the determination of bioactive compounds in vegetables and spices after hard cap espresso extraction. This novel extraction system has been tested for the determination of capsaicin and dihydrocapsaicin from fresh chilli and sweet pepper, piperine from ground pepper, curcumin from turmeric and curry, and myristicin from nutmeg. Extraction efficiency was evaluated by using acetonitrile:water and ethanol:water mixtures. The proposed method allows the extraction of samples with 100 mL of 60% (v/v) ethanol in water. The obtained limits of quantification for the …
Extensions and corona decompositions of low-dimensional intrinsic Lipschitz graphs in Heisenberg groups
2020
This note concerns low-dimensional intrinsic Lipschitz graphs, in the sense of Franchi, Serapioni, and Serra Cassano, in the Heisenberg group $\mathbb{H}^n$, $n\in \mathbb{N}$. For $1\leq k\leq n$, we show that every intrinsic $L$-Lipschitz graph over a subset of a $k$-dimensional horizontal subgroup $\mathbb{V}$ of $\mathbb{H}^n$ can be extended to an intrinsic $L'$-Lipschitz graph over the entire subgroup $\mathbb{V}$, where $L'$ depends only on $L$, $k$, and $n$. We further prove that $1$-dimensional intrinsic $1$-Lipschitz graphs in $\mathbb{H}^n$, $n\in \mathbb{N}$, admit corona decompositions by intrinsic Lipschitz graphs with smaller Lipschitz constants. This complements results that…
Elliptic equations and maps of bounded length distortion
1988
On considere l'equation elliptique d'ordre 2: L(u)=Σ i,f=1 n ∂ 1 (a ij ∂ ju )=0 ou les coefficients a ij sont des fonctions C 1 dans un domaine D de R n
Codimension growth of central polynomials of Lie algebras
2019
Abstract Let L be a finite-dimensional simple Lie algebra over an algebraically closed field of characteristic zero and let I be the T-ideal of polynomial identities of the adjoint representation of L. We prove that the number of multilinear central polynomials in n variables, linearly independent modulo I, grows exponentially like ( dim L ) n {(\dim L)^{n}} .
On the Coefficients of Multiple Series with Respect to Vilenkin System
2017
Abstract We give a sufficient condition for coefficients of double series Σ Σ n,m an,m χ n,m with respect to Vilenkin system to be convergent to zero when n + m → ∞. This result can be applied to the problem of recovering coefficients of a Vilenkin series from its sum.
Inverse problems for $p$-Laplace type equations under monotonicity assumptions
2016
We consider inverse problems for $p$-Laplace type equations under monotonicity assumptions. In two dimensions, we show that any two conductivities satisfying $\sigma_1 \geq \sigma_2$ and having the same nonlinear Dirichlet-to-Neumann map must be identical. The proof is based on a monotonicity inequality and the unique continuation principle for $p$-Laplace type equations. In higher dimensions, where unique continuation is not known, we obtain a similar result for conductivities close to constant.
Constant sign and nodal solutions for nonlinear robin equations with locally defined source term
2020
We consider a parametric Robin problem driven by a nonlinear, nonhomogeneous differential operator which includes as special cases the p-Laplacian and the (p,q)-Laplacian. The source term is parametric and only locally defined (that is, in a neighborhood of zero). Using suitable cut-off techniques together with variational tools and comparison principles, we show that for all big values of the parameter, the problem has at least three nontrivial smooth solutions, all with sign information (positive, negative and nodal).
Multiple Solutions for Fractional Boundary Value Problems
2018
Variational methods and critical point theorems are used to discuss existence and multiplicity of solutions for fractional boundary value problem where Riemann–Liouville fractional derivatives and Caputo fractional derivatives are used. Some conditions to determinate nonnegative solutions are presented. An example is given to illustrate our results.
Vertical versus horizontal Sobolev spaces
2020
Let $\alpha \geq 0$, $1 < p < \infty$, and let $\mathbb{H}^{n}$ be the Heisenberg group. Folland in 1975 showed that if $f \colon \mathbb{H}^{n} \to \mathbb{R}$ is a function in the horizontal Sobolev space $S^{p}_{2\alpha}(\mathbb{H}^{n})$, then $\varphi f$ belongs to the Euclidean Sobolev space $S^{p}_{\alpha}(\mathbb{R}^{2n + 1})$ for any test function $\varphi$. In short, $S^{p}_{2\alpha}(\mathbb{H}^{n}) \subset S^{p}_{\alpha,\mathrm{loc}}(\mathbb{R}^{2n + 1})$. We show that the localisation can be omitted if one only cares for Sobolev regularity in the vertical direction: the horizontal Sobolev space $S_{2\alpha}^{p}(\mathbb{H}^{n})$ is continuously contained in the vertical Sobolev sp…