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The investigation of H-1-H-1 spin-diffusion build-up curves using a rate matrix analysis approach shows that high-resolution magic angle spinning NMR of protons, applied to powdered organic compounds, provides a method to probe crystalline arrangements. Th ...
In order to perform a molecular dynamics (MD) simulation of the incommensurate crystalline structure hexamethylenetetramine suberate (C6H12N4)(HOOC-(CH2)(6)-COOH), we present in a first step the separate simulations of the crystalline structure of each of ...
Motivated by the observation of inhomogeneous patterns in some high-Tc cuprate compounds, several variational Gutzwiller-projected wave functions with built-in charge and bond-order parameters are proposed for the extended t−J−V model on the square lattice ...
We report on an exhaustive investigation of the dynamical dimer-dimer correlations in imaginary time for the quantum dimer model on the triangular lattice using the Green’s function Monte Carlo method. We show in particular that soft modes develop upon red ...
Structural investigations of SrTiO3 thin films deposited by pulsed laser ablation onto MgO and LaAlO3 substrates are presented. The residual strain along the c -axis (the growth direction) was evaluated with conventional X-ray diffraction. Evaluation of th ...
Absorption, fluorescence and excitation spectra of three-dimensional bacteriorhodopsin crystals harvested from a lipidic cubic phase are presented. The combination of the spectroscopic expts. performed at room temp., controlled pH and full external hydrati ...
The room temperature structure (a-form) of the organic compound p-chlorobenzamide, C7H6ClNO, can be described as a classical three-dimensional periodic superstructure (alpha(s)) and also as a commensurately modulated structure (alpha(m)) in (3 + 1)-dimensi ...
Maximum likelihood (ML) processing of transmission electron microscopy images of protein particles can produce reconstructions of superior resolution due to a reduced reference bias. We have investigated a ML processing approach to images centered on the u ...
This paper proposes a new family of bivariate, non-separable splines, called hex-splines, especially designed for hexagonal lattices. The starting point of the construction is the indicator function of the Voronoi cell, which is used to define in a natural ...
A new cobalt(II) phosphate compd. has been synthesized using high-temp. flux methods in the CsCl/NaCl media at 650°C. The title compd., Na3CsCo7(PO4)6, forms vibrant purple plate crystals. It crystallizes in a monoclinic space group C2/c (no. 15) with the ...