[HTML][HTML] Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination

L Krause, R Herbst-Irmer, GM Sheldrick… - Journal of applied …, 2015 - scripts.iucr.org
The quality of diffraction data obtained using silver and molybdenum microsources has been
compared for six model compounds with a wide range of absorption factors. The …

[PDF][PDF] The crystallographic computing system

V Petříček, M Dušek, L Palatinus - Institute of Physics, Academy …, 2006 - researchgate.net
THE CRYSTALLOGRAPHIC COMPUTING SYSTEM Page 1 Last update: 06/12/00 THE
CRYSTALLOGRAPHIC COMPUTING SYSTEM Václav Petříček & Michal Dušek Institute of …

Extinction within the limit of validity of the Darwin transfer equations. I. General formalism for primary and secondary extinction and their applications to spherical …

PJ Becker, P Coppens - Acta Crystallographica Section A: Crystal …, 1974 - scripts.iucr.org
A theory of extinction is derived which is valid within the limit of the Darwin intensity transfer
equations. An expression describing the effect of n-fold rescattering within an ideal crystallite …

The connubium between crystallography and quantum mechanics

P Macchi - Crystallography Reviews, 2020 - Taylor & Francis
By rephrasing the incipit of one of the most influential books: a spectre is haunting science,
the spectre of quantum crystallography. This name is ever more frequent in the scientific …

Comparative study of defect structures in lithium niobate with different compositions

N Iyi, K Kitamura, F Izumi, JK Yamamoto… - Journal of Solid State …, 1992 - Elsevier
Abstract Structure refinements were conducted on LiNbO 3 crystals with four different
compositions, ranging from near stoichiometric (Li (Li+ Nb)= 0.498) to highly …

Modern charge density studies: the entanglement of experiment and theory

P Macchi - Crystallography reviews, 2013 - Taylor & Francis
This tutorial review article is intended to provide a general guidance to a reader interested to
learn about the methodologies to obtain accurate electron density mapping in molecules …

Synchrotron X-ray study of the electron density in α-Fe2O3

EN Maslen, VA Streltsov, NR Streltsova… - … Section B: Structural …, 1994 - scripts.iucr.org
Abstract Structure factors for synthetic haematite, o~-Fe203, have been measured for two
small crystals using focused~--0.7 A synchrotron radiation. The struc-ture factors from the …

[图书][B] Neutron diffraction of magnetic materials

VE Naish, RP Ozerov - 2012 - books.google.com
Detennination of the magnetic structure of magnetic materials is a fundamental problem that
can be solved by magnetic neutron diffraction techniques. By magnetic structures we refer to …

The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5) Mn (CO …

LJ Farrugia, C Evans, D Lentz… - Journal of the American …, 2009 - ACS Publications
Experimental charge densities for (C5H5) Mn (CO) 3 (2),(η6-C6H6) Cr (CO) 3 (3), and (E)-
{(η5-C5H4) CF CF (η5-C5H4)}(η5-C5H5) 2Fe2 (4) have been obtained by multipole …

Hydrogen thermal motion in calcium hydroxide: Ca (OH) 2

L Desgranges, D Grebille, G Calvarin… - … Section B: Structural …, 1993 - journals.iucr.org
Abstract Calcium hydroxide, Ca (OH) 2, Mr--74, trigonal, P3ml, a= 3.589 (8), c= 4.911 (14) A,
V= 54.8 (4) A3, Dx= 2.26 [g cm-3 at room temperature, Z= 1, A= 0.8330 (5) A,~= 1.195 cm …