This paper presents a programming project named NMRviewer that allows students to visualize transformed and processed 1 H NMR data in an accessible, interactive format while allowing instructors to incorporate programming content into the chemistry curricula. Using the MATLAB graphical user interface development environment (GUIDE), students can…

Describes interactive, computer-graphics program emulating behavior of high resolution, ultraviolet-visible analog recording spectrophotometer. Graphics terminal behaves as recording absorption spectrophotometer. Objective of the emulation is study of optimization of the instrument to yield accurate absorption spectra, including…

A PASCAL graphics and instrument interface program for a Z80/S-100 based microcomputer was developed. The computer interfaces to a stopped-flow spectrophotometer replacing a storage oscilloscope and polaroid camera. Applications of this system are discussed, indicating that graphics and analog-to-digital boards have transformed the computer into…

Describes a computer program which generates formalized PMR spectra for video display. The program includes eight problems and is written in BASIC. (SK)

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…

Discusses the nature of a nuclear magnetic resonance (NMR) experiment, the techniques used, the types of structural and dynamic information obtained, and how one can view and refine structures using computer graphics techniques in combination with NMR data. Provides several spectra and a computer graphics image from B-form DNA. (MVL)

Presents five computer programs: (1) Accurate Numerical Solutions of the One-Dimensional Schrodinger Equation; (2) NMR Simulation and Interactive Drill/Interpretation; (3) A Simple Computer Program for the Calculation of 13C-NMR Chemical Shifts; (4) Constants of 1:1 Complexes from NMR or Spectrophotometric Measurements; and (5) Saturation…