Calculating analytical uncertainties as a part of method validation is a relevant aspect of field and laboratory practices in instrumental analytical chemistry subjects, which usually require complex algorithms. This work describes the development and didactic use of an automatic and straightforward informatics tool, implemented in an Excel macro,…

In all fields of chemistry, it has become essential to use quantum chemical calculations and machine learning for explaining and predicting chemical phenomena. However, it is challenging to apply textbook knowledge to practical research. In this study, we developed teaching material based on computational chemistry to promote the integration of…

In general, undergraduate experimental physics laboratories do not usually have experiments designed to address rolling friction and to measure the value of the rolling friction coefficient. This work explores an experiment, which has the potential to arouse students' curiosity about rolling friction by addressing a counterintuitive aspect of the…

A series of computational laboratory experiments aimed at teaching students principles of rational drug design are described and evaluated. These experiments range from an introduction to viewing protein-ligand complexes to optimizing geometries of potential drugs with quantum chemistry and automated docking. Student feedback indicates that such a…

A computational laboratory experiment investigating molecular models for hexagonal boron-carbon-nitrogen sheets (h-BCN) was developed and employed in an upper-level undergraduate chemistry course. Students used the Avogadro user interface for molecular editing and the WebMO interface for the quantum computational workflow. Density functional…

A novel method of measuring the coefficients of kinetic and rolling friction is proposed. The method is simple to implement and reliable. Samples of measurements and calculations are presented.

Surface modification has been considered as a fundamental item in upper-division undergraduate and master courses. Thus, the development of experiments regarding processes and characterization of surface-modification phenomena is highly desired. In this article, we propose an electrochemical and computational study of widely used…

The effects of substitution on reaction rates are at the heart of both physical chemistry and organic chemistry. In this paper, we present a computational laboratory module to explore the effects of group substitution and isotopic substitution on reaction rates by using a readily accessible graphical interface, a computational engine, and…

In the field of physics teaching, the simple pendulum provides a very simple way to study the harmonic oscillator, the source of some fundamental concepts such as periodicity, relaxation time and anharmonicity. As such, its experimental study is frequently integrated into high school or first year university programs. With this in mind, in this…

Providing exposure to the process and methods of science is a fundamental goal of any general education college science course. This is largely because most students taking such courses are generally "not" science majors, so they are likely to take few, if any, other science courses. Meeting this goal can be a challenge in courses such…

This two-period undergraduate laboratory experiment involves the synthesis of a mixture of isomeric unknowns, isolation of the mixture by means of distillation, and characterization of the two products primarily by NMR spectroscopy (1D and 2D) supported with IR spectroscopy and GC-MS techniques. Subsequent calculation and examination of the…

Through the experiments described in this article, students become acquainted with the principles behind ternary liquid-liquid systems and/or Aqueous Two-Phase Systems (ATPS), and their characterization by the determination of the binodal curve, tie-lines, tie-line lengths and critical point, as well as in applying the non-random two-liquid model…

The second law of thermodynamics has various formulations. There is the "Clausius formulation," which can be stated in a very intuitive way: "No process is possible whose sole result is the transfer of heat from a cooler to a hotter body." There is also the "Kelvin-Plank principle," which states that "no cyclic…

An undergraduate electrical conductivity measurement experiment in a physical chemistry lab and basic fitting procedures are presented that allow a characterization of micellar system of hexadecyltrimethylammonium bromide (cetyltrimethylammonium bromide, CTAB) in binary mixture of water and acetonitrile (ACN) as a cosolvent (10%, v/v) at 30.0 °C.…

A laboratory project for the upper-division physical chemistry laboratory is described, and it combines IR and Raman spectroscopies with Gaussian electronic structure calculations to determine the structure of the oxalate anion in solid alkali oxalates and in aqueous solution. The oxalate anion has two limiting structures whose vibrational spectra…