A simple molecular dynamics experiment is described to demonstrate transport properties for the undergraduate physical chemistry laboratory. The AMBER package is used to monitor self-diffusion in "n"-hexane. Scripts (available in the Supporting Information) make the process considerably easier for students, allowing them to focus on the…

The handling of chemicals in the laboratory presents a challenge in instructing large class sizes and when students are relatively new to the laboratory environment. In this work, we describe and demonstrate an augmented reality colorimetric titration tool that operates out of the smartphone or tablet of students. It allows multiple students to…

Use of advanced mass spectrometry techniques in the undergraduate setting has burgeoned in the past decade. However, relatively few undergraduate experiments examine the proteomics tools of protein digestion, peptide accurate mass determination, and database searching, also known as peptide mass fingerprinting. In this experiment, biochemistry…

The binding constant and stoichiometry ratio for the formation of iron(II)-(1,10-phenanthroline) or iron(II)-o-phenanthroline complexes has been determined by a combination of a low-cost analytical method using a smartphone and a molecular modeling method as a laboratory experiment designed for analytical and physical chemistry courses. Intensity…

A visual regression analysis using the least absolutes method (LAB) was developed, utilizing an interactive approach of visually minimizing the sum of the absolute deviations (SAB) using a bar graph in Excel; the results agree very well with those obtained from nonvisual LAB using a numerical Solver in Excel. These LAB results were compared with…

The Wittig reaction is one of the most useful reactions in organic chemistry. Despite its prominence early in the organic chemistry curriculum, the exact mechanism of this reaction is still under debate, and this controversy is often neglected in the classroom. Introducing a simple computational study of the Wittig reaction illustrates the…

The article describes the use of Mathematica, a computer algebra system (CAS), in a high school chemistry course. Mathematica was used to generate a graph, where a slider controls the value of parameter(s) in the equation; thus, students can visualize the effect of the parameter(s) on the behavior of the system. Also, Mathematica can show the…

Microcomputer based laboratory activities have been suggested to have a number of benefits in science education. However, their implementation produces mixed results, and student perception data have in the past yielded responses that are negative regarding the technology. This work presents a case study of three first year undergraduate chemistry…

Discusses the use of a computer software package called ASYST for general laboratory computing. Describes the software's capacity for acquiring data in a flow injection analysis experiment. Reviews the series of commands used by students in carrying out the experiment. (TW)

Discusses the problems created by the insufficient number of major data collection and analysis instruments in most college chemistry courses. Suggests the use of less expensive microcomputer-controlled instrument emulators, which resemble the actual instruments. Discusses the application of one such emulator in an instrumental analysis course.…

Describes a first-year chemistry laboratory experiment which uses a simple computer program written in BASIC, to analyze data collected by students about the density of a set of marbles. A listing of the program is provided, along with a sample printout of the experiment's results. (TW)