In this article, we describe a fully computational laboratory exercise that results in an increase of students' understanding of what quantum chemical geometry optimization calculations are doing to find minimum energy structures. This laboratory exercise was conducted several times over multiple years at a small private undergraduate institution,…

This is a fundamental and pedagogical work in quantum physics/chemistry, where we try to illustrate the Mulliken's question, "What are the electrons really doing in molecules?". And we also briefly review the development of the most popular numerical approaches in computational chemistry. We examine in a novel approach, how we can…

An application for visualizing the dynamic properties of an equimolar binary mixture of isotropic reactive particles is presented. By introducing a user selectable choice for the activation energy, the application is useful to demonstrate qualitatively that the reaction rate depends on the above choice and on temperature. The application is based…

Students often wrestle unsuccessfully with the task of correctly calculating momentum probability densities and have difficulty in understanding their interpretation. In the case of a particle in an "infinite" potential well, its momentum can take values that are not just those corresponding to the particle's quantised energies but…

Franck-Condon factors (FCFs) play a crucial role in determining the intensities of the vibrational bands in electronic transitions. In this article, a relatively simple method to calculate the FCFs is illustrated. An algorithm for the Fourier Grid Hamiltonian (FGH) method for computing the vibrational wave functions and the corresponding energy…

In this article we discuss the concept of equilibrium establishment in four most usual instances as is electrostriction and vaporization as related to the concept of equilibrium shell formation. Two more cases are then studied which are of relevance. One is the Brownian movement, the study of which is essential for pedagogical reasons as to…

We investigate student confusion of concepts of electric and magnetic force. At various times during a traditional university-level course, we administered a series of simple questions about the direction of force on a charged particle moving through either an electric or a magnetic field. We find that after electric force instruction but before…

Mitochondrial respiratory chain (RC) disorders (RCDs) are a group of genetically and clinically heterogeneous diseases because of the fact that protein components of the RC are encoded by both mitochondrial and nuclear genomes and are essential in all cells. In addition, the biogenesis, structure, and function of mitochondria, including DNA…

The steady-state is a fundamental aspect of biochemical pathways in cells; indeed, the concept of steady-state is a definition of life itself. In a simple enzyme kinetic scheme, the steady-state condition is easy to define analytically but experimentally often difficult to capture because of its evanescent quality; the initial, constant velocity…

Background and purpose: This study investigated Indonesian and Japanese senior high-school students' understanding of electrochemistry concepts. Sample: The questionnaire was administered to 244 Indonesian and 189 Japanese public senior high-school students. Design and methods: An 18-item multiple-choice questionnaire relating to five conceptual…

Comparison of the thermodynamic entropy with Boltzmann's principle shows that under conditions of constant volume the total number of arrangements in a simple thermodynamic system with temperature-independent constant-volume heat capacity, C, is T[superscript C/k]. A physical interpretation of this function is given for three such systems: an…

An undergraduate thin-film nanotechnology laboratory was designed. Nanocapacitors were fabricated on silicon substrates by sputter deposition. A mask was designed to form the shape of the capacitor and its electrodes. Thin metal layers of Au with a 80 nm thickness were deposited and used as two infinitely large parallel plates for a capacitor.…

The Morse-Pekeris oscillator model for the calculation of the vibration-rotation energy levels of diatomic molecules is revisited. This model is based on the realization of a second-order exponential expansion of the centrifugal term about the minimum of the vibrational Morse oscillator and the subsequent analytical resolution of the resulting…

In this work, we review two formalisms of coherent states for the case of a particle in a magnetic field. We focus our revision on both pioneering (Feldman and Kahn 1970 "Phys. Rev." B 1 4584) and recent (Kowalski and Rembielinski 2005 "J. Phys. A: Math. Gen." 38 8247) formulations of coherent states for this problem. We introduce a general…

When students make the transition from one curriculum to another, with significant overlap of content, the challenge is not so much to impart new information but rather to tap into students' existing knowledge base. The purpose of this study was to determine if achievement in an external examination that requires analysis could be enhanced by the…