Search results for " Spectra"
showing 10 items of 709 documents
Estimating the decomposition of predictive information in multivariate systems
2015
In the study of complex systems from observed multivariate time series, insight into the evolution of one system may be under investigation, which can be explained by the information storage of the system and the information transfer from other interacting systems. We present a framework for the model-free estimation of information storage and information transfer computed as the terms composing the predictive information about the target of a multivariate dynamical process. The approach tackles the curse of dimensionality employing a nonuniform embedding scheme that selects progressively, among the past components of the multivariate process, only those that contribute most, in terms of co…
SPECTRAL ANALYSIS WITH TAPERED DATA
1983
. A new method based on an upper bound for spectral windows is presented for investigating the cumulants of time series statistics. Using this method two classical results are proved for tapered data. In particular, the asymptotic normality for a class of spectral estimates including estimates for the spectral function and the covariance function is proved under integrability conditions on the spectra using the method of cumulants.
Relaxation dynamics in the presence of pulse multiplicative noise sources with different correlation properties
2015
The relaxation dynamics of a system described by a Langevin equation with pulse multiplicative noise sources with different correlation properties is considered. The solution of the corresponding Fokker-Planck equation is derived for Gaussian white noise. Moreover, two pulse processes with regulated periodicity are considered as a noise source: the dead-time-distorted Poisson process and the process with fixed time intervals, which is characterized by an infinite correlation time. We find that the steady state of the system is dependent on the correlation properties of the pulse noise. An increase of the noise correlation causes the decrease of the mean value of the solution at the steady s…
Brownian motion in trapping enclosures: Steep potential wells, bistable wells and false bistability of induced Feynman-Kac (well) potentials
2019
We investigate signatures of convergence for a sequence of diffusion processes on a line, in conservative force fields stemming from superharmonic potentials $U(x)\sim x^m$, $m=2n \geq 2$. This is paralleled by a transformation of each $m$-th diffusion generator $L = D\Delta + b(x)\nabla $, and likewise the related Fokker-Planck operator $L^*= D\Delta - \nabla [b(x)\, \cdot]$, into the affiliated Schr\"{o}dinger one $\hat{H}= - D\Delta + {\cal{V}}(x)$. Upon a proper adjustment of operator domains, the dynamics is set by semigroups $\exp(tL)$, $\exp(tL_*)$ and $\exp(-t\hat{H})$, with $t \geq 0$. The Feynman-Kac integral kernel of $\exp(-t\hat{H})$ is the major building block of the relaxatio…
Multinuclear magnetic resonance and x-ray diffraction studies of aminonitropyridines
1992
The 15N NMR spectra for 21 aminonitropyridines were measured and their chemical shifts assigned. The 1H and 13C NMR chemical shifts and spin–spin coupling constants were also determined for 16 compounds of this series. In order to relate the structural properties of nitramino groups and their 15N NMR chemical shifts in 2- and 4-nitramino-3-nitropyridines, which differ remarkably from all other amino groups studied, low-temperature 1H NMR, 17O NMR, comparative INEPT and IR spectroscopic studies were carried out. In addition, the x-ray crystal structure of 2-nitramino-3-nitropyridine was determined. Comparative spectroscopic studies showed that the nitramino derivatives exhibit different char…
1H,13C and15N NMR spectroscopic, x-ray structural andab initio/HF studies on nitramino andN-alkylamino-4-nitro derivatives of pyridineN-oxides and py…
2003
The 1H, 13C and 15N NMR spectra in DMSO-d6 were measured for eight nitraminopyridine N-oxides, ten 4-nitropyridine N-oxides, four 2-nitraminopyridines and five 4-nitropyridines. Their chemical shift assignments are based on PFG 1H,X (X = 13C and 15N) HMQC and HMBC experiments. The relative energies for the tautomers of two nitraminopyridine N-oxides were determined by ab initio HF/6–311G** calculations. A single-crystal x-ray structural analysis was made for 4-methyl-2-nitraminopyridine: C6H7O2N3, M = 153.15, triclinic, space group P-1 (No. 2), a = 7.0275(4), b = 6.8034(3), c = 8.6086(5) A, α = 103.620(2), β = 90.309(2), γ = 122.215(3)°, V = 334.11(3) A3, Z = 2. Copyright © 2003 John Wiley …
Nitramino, NRNO2 (R = H, CH3), as a substituent.13C and15N NMR spectroscopic study of nitraminobenzenes and -pyridines
1993
In order to clarify the special properties of the aryl-bound nitramino substituent NRNO 2 (R=H, CH 3 ), 13 C and 15 N NMR spectra of six nitraminobenzenes and nine nitraminopyridines were measured in DMSO-d 6 and their chemical shifts assigned. 1 H NMr chemical shifts and spin-spin coupling constants of all the compounds were also determined. In contrast to the behaviour of nitropyridines or -benzenes studied previously, most of the present compounds gave very broad 17 O NMR lines even at elevated temperatures and their 17 O NMR data were not useful for any reliable conclusions
Synthesis and spectroscopic studies (Mo¨ssbauer, IR and NMR) of [R2SnCl2bipym] (R = butyl or phenyl) and the crystal and molecular structure of [Ph2S…
1994
Abstract The complexes [R 2 SnCl 2 bipym] (R = phenyl or butyl, bipym = 2,2′,6,6′-bipyrimidine) were synthesized and studied in solution by 1 H- and 13 C-NMR spectroscopy and in the solid state by IR and Mo¨ssbauer spectroscopy. The latter was also performed in frozen ethanolic solution. The structure of the phenyl complex was determined by single crystal diffraction methods. The value obtained for the angle C-SN-C in the phenyl compound is 169.3(2)° (X-ray) and 151° (Mo¨ssbauer), but the assignment of an octahedral configuration by Mo¨ssbauer spectroscopy is consistent with the structure determined by diffraction. The butyl complex is also octahedral and the two techniques show better agre…
Über polyplumbane
1985
Abstract Diplumbanes Pb 2 R 3 R′ 3 (R,R′ = Ph, o -Tol, p -Tol) have been synthesized from R 3 PbLi and R′ 3 PbCl at −60°C in THF. Mass, 13 C and 207 Pb NMR spectra of the products exhibit migrations of R, R′ in the transition state (R 3 PbLi + ClPbR′ 3 ) leading to a complex distribution of the substituents (δ( 207 Pb) with respect to PbMe 4 −70 to −95 ppm). The PbPb stretching vibration (100 to 115 cm −1 ) couples with a lattice vibration giving rise to a single intensive Raman line. The crystal structure of Pb 2 Ph 3 ( p -Tol) 3 has been determined and refined to R = 0.155. Two independent molecules are disordered and have identical distribution of the substituents Ph( p -Tol) 2 PbPbPh …
Precursors of aza-macrocycles: Characterization of substituted phenanthrolines and related bases. Crystal and molecular structure of dichloro-d i-n-b…
1993
The synthesis, characterization and 1~ NMR spectra of some substituted 1,lO-phenantrolines are described. These are precursors of azacyclophanes which are, along with their metal complexes, insoluble in polar solvents. It is suggested that the use of substituted 2,2’, 6,6’ -bipyrimidines as precursors would lead to soluble macrocycles. The crystal and molecular structure of dichloro-di-n-butyl(2,2’,6,6’-bipyr