Among computational methods, DFT (density functional theory) and TD-DFT (time-dependent DFT) are widely used in research to describe, "inter alia," the optical properties of transition metal complexes. Inorganic/physical chemistry courses for undergraduate students treat such methods, but quite often only from the theoretical point of…

A solid foundation of chemistry principles is only gained through a true comprehension of the material as opposed to pure memorization. One of the most fundamental concepts in chemistry is that of determining the amount of product formed in a chemical reaction when one of the reactants is limiting. To increase students' comprehension of this…

Surveys the range of electronic calculators currently available and their capabilities. Prices range from $20.00 to $800.00, and functions performed range from the four arithmetic operations to complex operations such as the computation of standard deviation, vector addition, and programs with up to 100 steps. (MLH)

Describes six crystallographic programs which have been developed to illustrate the range of usefulness of programmable calculators in providing computational assistance in chemical analysis. These programs are suitable for the analysis of x-ray diffraction data in the laboratory by students. (HM)