X-Ray crystallography Volume

International Tables for X-Ray Crystallography, Volume II, Int. Union of Crystallography, The Kynoch Press, Birmingham, 1962. 

Advanced X-Ray Crystallography Volume Editor Kari Rissanen Vol. 315, 2012... 

In the following discussion, for simplicity we make use of the pair of symmetry diagrams that constitute a representation of space group P2 jc (No. 14) in International Tables for X-Ray Crystallography Volume /, as displayed in Fig. 9.3.4. 

Diagrams showing (a) the general equivalent positions and (b) die symmetry elements in space group P2 /c as presented in International Tables for X-Ray Crystallography Volume I. The bold numerals in the left figure are added for die purpose of discussion. 

Figure 7.18 shows the information provided by the International Tables for X-Ray Crystallography, Volume I (and also the newer Volume A) for that most frequent and popular of space groups for organic crystals, P2i /c. The top line in Fig. 7.18 identifies the crystal system (monoclinic), the full international symbol (P 1 2 /c 1), which says that the lattice is primitive (P), that along the... 

H. Lipson. Absorption corrections. In International Tables for X-ray Crystallography. Volume II. Mathematical Tables. Section 5. Physics of Diffraction Methods. (Eds., Kasper, J. S., and Lonsdale, K.) pp. 291-312. Kynoch Press Birmingham (1959). 

Helliwell, J. R. (1991) Diffraction geometry and its practical realisation in International Tables for X-ray Crystallography, Volume C, edited by A.J. C. Wilson, Oxford Oxford University Press. 

Hamilton, W. C. (1974) Angle settings for four-circle diffractometers in International Tables for X-ray Crystallography, Volume IV, Birmingham, England Kynoch Press, pp. 273-84. (Present distributor Kluwer Academic Publishers, Dordrecht.)... 

Although the structure of (— )-aspidospermine-Ab-methiodide (V) was determined by X-ray crystallography (Volume VIII, p. 361) its... 

The determination of the structure of adenine hydrochloride (see Volume 2, Section IV,K, of article IV by Katritzky and Lagowski) is an example of extremely accurate X-ray crystallography whereby the positions of individual hydrogen atoms were located. An example of the deduction of structure from bond lengths between heavy atoms is provided by Penfold s investigation of pyrid-2-thione. ... 

Using information obtained from X-ray crystallography, we have described the structure of a chiral, spherical molecular assembly held together by 60 hydrogen bonds. [10] The host, which conforms to the structure of a snub cube, self-assembles in apolar media and encapsulates guest species within a cavity that possesses an internal volume of approximately 1.4 nm3. 

With the continuously increasing usage of X-ray crystallography, the number of macromolecular structures deposited in the PDB, Fig. 11.4, their size, and complexity are rapidly growing. Particularly stuiming is the increase in the volume (and the content) of the crystallographic asymmetric unit. 

Written by an international panel of experts, this volume begins with a comparison of nonlinear optical spectroscopy and x-ray crystallography. The text examines the use of multiphoton fluorescence to study chemical phenomena in the skin, the use of nonlinear optics to enhance traditional optical spectroscopy, and the multimodal approach, which incorporates several spectroscopic techniques in one instrument. Later chapters explore Raman microscopy, third-harmonic generation microscopy, and nonlinear Raman microspectroscopy. The text explores the promise of beam shaping and the use of a broadband laser pulse generated through continuum generation and an optical pulse shaper. 

An alternative physical observable that has been used to define partial atomic charges is the electron density. In X-ray crystallography, the electron density is direedy measured, and by comparison to, say, spherically symmetric neutral atoms, atomic partial charges may be defined experimentally, following some decisions about what to do with respect to partitioning space between the atoms (Coppens 1992). Bader and co-workers have adopted a particular partitioning scheme for use with electronic structure calculations that defines the atoms-in-molecules (AIM) method (Bader 1990). In particular, an atomic volume is... 

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