Broken symmetries in macromolecular crystallography: phasing from unmerged data
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Anisotropy in the density of unoccupied states can be detected in the fine structure of ionization edges in angle-resolved EELS. It is shown that in a crystal an interference term occurs in the inelastic signal, and how it relates to electron channeling an ...
A no. of promising synthetic catalysts for the hydrolytic degrdn. of RNA have been developed in recent years. Some of them show remarkable selectivity for pyrimidine nucleotides. The general problem of all these studies is to distinguish between real effec ...
We record double resonance spectra of the 4nu(1) band of jet-cooled C-13-methanol using single rotational state selection in the nu(1) fundamental and subsequent promotion of the selected molecules to the fourth vibrational level. We then detect transition ...
Classical molecular dynamics simulations with a force field adapted to the family of Gd3+ polyaminocarboxylate complexes have been successfully applied on two macrocyclic ([Gd(DOTA)(H2O)]- and [Gd(DO3A)(H2O)2]) and two acyclic ([Gd(DTPA)(H2O)]2- and [Gd(EG ...
We investigate in the simplest compact D = 4 N = 1 type-II B orientifold models the sigma-model symmetry suggested by the proposed duality of these models to heterotic orbifold vacua. This symmetry is known to be present at the classical level, and is asso ...
Due to the ubiquitous presence of a Berry phase, in most cases of dynamical Jahn-Teller systems the symmetry of the vibronic ground state is the same as that of the original degenerate electronic state; As a single exception, the linear H x h icosahedral m ...
The spatial and time-reversal symmetries of excitons in quantum wires are discussed, including possible use in numerical computation. Particular attention is paid to the important case of a single symmetry plane (group C-s). Even in such a low symmetry cas ...
High-resolution angle-resolved (ARPES) photoemission in the quasi-one dimensional (1D) Peierls systems (TaSe4)(2)I and K0.3MoO3 reveals spectral features with clear 1D character. Their dispersion and polarization dependence is consistent with open Fermi su ...
High-resolution angle-resolved photoemission spectroscopy (ARPES) on the quasi-one-dimensional Peierls system K0.3MoO3 reveals a "hidden" open Fermi surface and band features displaying the symmetry properties of the underlying lattice. However, the ARPES ...
The low temperature (LT) modification of Cs3Bi2I9 has been refined to R(F) = 0.055 on the basis of X-ray diffraction measurements at T = 130 K from a twin crystal with six fractions connected by 3-fold axis and m-planes symmetry operations. Data were colle ...