نتایج جستجو برای: crystallographic structure

تعداد نتایج: 1578051  

Journal: :Acta Crystallographica Section D Biological Crystallography 2012

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The reaction of gallium (III) nitrate octahydrate with the proton transfer compound (pydaH2)2+ (pydc)2– ( where  pyda  is 2,6-pyridinediamine and pydcH2 is 2,6-pyridinedicarboxylic acid) leads to the formation of (C5H8N3) [Ga(C7H3NO4)2] · 4H2O · CH3OH. The crystal system of the anionic complex is triclinic with space group Pī and two molecules per unit cell. The unit cell parameters are a=10.23...

Journal: :Annual review of biophysics 2013
Paul D Adams David Baker Axel T Brunger Rhiju Das Frank DiMaio Randy J Read David C Richardson Jane S Richardson Thomas C Terwilliger

Advances in our understanding of macromolecular structure come from experimental methods, such as X-ray crystallography, and also computational analysis of the growing number of atomic models obtained from such experiments. The later analyses have made it possible to develop powerful tools for structure prediction and optimization in the absence of experimental data. In recent years, a synergy ...

2006
K. Nowaczyk F. Domka

This paper reports results of studies on the influence of the crystallographic mineral structure on the process of pyrite and marcasite leaching. Kinetic studies show that the crystallographic structure of minerals like FeS2 type does not influence the efficiency of the process.

Journal: :Acta crystallographica. Section D, Biological crystallography 2001
Y Q Shen L Tang H M Zhou Z J Lin

The crystal structure of human muscle creatine kinase has been determined by the molecular-replacement method and refined at 3.5A resolution. The structures of both the monomer and the dimer closely resemble those of the other known structures in the creatine kinase family. Two types of dimers, one with a non-crystallographic twofold symmetry axis and the other with a crystallographic twofold s...

Journal: :Computer Physics Communications 2011
Torbjörn Björkman

The CIF2Cell program generates the geometrical setup for a number of electronic structure programs based on the crystallographic information in a Crystallographic Information Framework (CIF) file. The program will retrieve the space group number, Wyckoff positions and crystallographic parameters, make a sensible choice for Bravais lattice vectors (primitive or principal cell) and generate all a...

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