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Peer reviewed Peer reviewed
Castano, F.; And Others – Journal of Chemical Education, 1983
The RKR method for determining accurate potential energy curves is described. Advantages of using the method (compared to Morse procedure) and a TRS-80 computer program which calculates the classical turning points by an RKR method are also described. The computer program is available from the author upon request. (Author/JN)
Descriptors: Chemistry, College Science, Computer Programs, Energy
Peer reviewed Peer reviewed
Garcia, Jose Miguel Gallego – Journal of Chemical Education, 1981
Provides sample output and describes a program for programmable calculators that determines the molecular parameters of any type of diatomic molecule. (CS)
Descriptors: Calculators, Chemistry, College Science, Computer Programs
Peer reviewed Peer reviewed
Holdsworth, David K. – Journal of Chemical Education, 1980
Highlighted are characteristics of programs written for a pocket-sized programmable calculator to analyze mass spectra data (such as displaying high resolution masses for formulas, predicting whether formulas are stable molecules or molecular ions, determining formulas by isotopic abundance measurement) in a laboratory or classroom. (CS)
Descriptors: Calculators, Chemical Analysis, Chemistry, College Science
Peer reviewed Peer reviewed
Moore, John W., Ed. – Journal of Chemical Education, 1983
Thirteen computer/calculator programs (available from authors) are described. These include: representation of molecules as 3-D models; animated 3-D graphical display of line drawings of molecules; principles of Fourier-transform nuclear magnetic resonance; tutorial program for pH calculation; balancing chemical reactions using a hand-held…
Descriptors: Calculators, Chemical Analysis, Chemical Reactions, Chemistry