Describes and discusses the use of theoretical models as an alternative to experiment in making accurate predictions of chemical phenomena. Addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. Draws on a series of models that have already received widespread application and are available for new applications. A new and powerful research tool for the practicing experimental chemist.

AB INITIO Molecular Orbital Theory

J. Appl. Cryst.の発刊に際して

Proton and carbon-13 nmr spectra of unsonicated lipid bilayers and biological membranes are generally dominated by strong proton–proton and proton–carbon dipolar interactions. As a result the spectra contain a large number of overlapping resonances and are rather difficult to analyse. Nevertheless, important information on the structure and dynamic behaviour of lipid systems has been provided by these techniques (Wennerstrom & Lindblom, 1977).

/pdf/deuterium-magnetic-resonance-theory-and-application-to-lipid-3a016gcplt.pdf

Deuterium magnetic resonance: theory and application to lipid membranes.

https://utw10193.utweb.utexas.edu/Archive/RuoffsPDFs/215.pdf

Microwave assisted exfoliation and reduction of graphite oxide for ultracapacitors

This Review highlights the application of high-temperature solutions for exploratory crystal growth and materials discovery of novel complex oxides. It provides an overview of the method of flux crystal growth of complex oxides and can function as a "how to" guide for those interested in oxide crystal growth. The most commonly used fluxes are discussed in terms of their applicability for dissolving specific elements and the typical reaction conditions are compiled. A large variety of recent quaternary and higher oxides that have been grown as crystals from fluxes are used to illustrate the power of the flux method to grow oxide crystals containing specific elements.

Materials discovery by flux crystal growth: quaternary and higher order oxides.

Critical evaluation of chemical and physical structural information.

The compounds [Ni(en)3]2[Re6Te8(CN)6]·10H2O (1), [Ni(NH3)4(en)]2[Re6Te8(CN)6]·2H2O (2), [Ni(NH3)2(en)2][{Ni(en)2}3{Re4Te4(CN)12}2]·38H2O (3), [Co(NH3)2(en)2]2[{Co(en)2}Re6Te8(CN)6]Cl2·H2O (4),and [...

New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine

In this Perspective we discuss a variety of methods that are broadly applicable to the syntheses of solid-state compounds. To illustrate the application of these methods we use solid-state actinide compounds, an area of chemistry that has been the focus of this laboratory for the last decade. We have synthesized single crystals, primarily of actinide chalcogenide compounds, by a variety of techniques. The benefits and drawbacks of each will be discussed in detail. Because of their propensity towards high coordination numbers and their ability to take on a variety of formal oxidation states, actinide compounds adopt structures illustrated here that are often different from those adopted by transition-metal or even lanthanide compounds. Often, there are corresponding differences in their physical properties, and these are touched upon here.

Syntheses and characterization of some solid-state actinide (Th, U, Np) compounds

Syntheses, crystal and electronic structure, and some optical and transport properties of LnCuOTe (Ln=La, Ce, Nd)

Jim Ibers takes a look at the intriguing structures and bonding found in tellurium and its compounds, and considers their uses in a diversity of fields ranging from metallurgy to electronics.

James A. Ibers

Papers

Critical evaluation of chemical and physical structural information.

New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine

Syntheses and characterization of some solid-state actinide (Th, U, Np) compounds

Syntheses, crystal and electronic structure, and some optical and transport properties of LnCuOTe (Ln=La, Ce, Nd)

Tellurium in a twist