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,…

The main difficulty in studying molecular symmetry is the mental manipulation of molecules when searching for symmetry. Numerous methods of teaching molecular symmetry require students to identify symmetry elements of objects or molecules. As an alternative, we propose activity that identifies symmetry using elements outside the objects, together…

Development of three-dimensional (3D) printing technology has started a new chapter for in-classroom modeling of chemical molecules. The technology provides the opportunity to design and produce various types of personalized models. However, using classical 3D printers is time consuming, and it is hard to involve students in the modeling process…

Being able to move between different representations levels (macroscopic, submicroscopic, and symbolic) is important to understand a chemical phenomenon meaningfully. The current study investigated how pre-service science teachers moved from symbolic representation to sub-microscopic representation. A total of 205 pre-service science teachers,…

An introduction to the Quantum Chemistry Package (QCP), implemented in the computer algebra system Maple, is presented. The QCP combines sophisticated electronic structure methods and Maple's easy-to-use graphical interface to enable computation and visualization of the electronic energies and properties of molecules. Here we describe how the QCP…

Visuospatial thinking is considered crucial for understanding of three-dimensional spatial concepts in STEM disciplines. Despite their importance, little is known about the underlying cognitive processing required to spatially reason and the varied strategies students may employ to solve visuospatial problems. This study seeks to identify and…

Molecular orbital configurations give rise to electronic terms comprising corresponding electronic states. Electronic terms possess symmetry classifications, which are denoted by a term symbol, based on the symmetry properties of the electronic wave functions associated with the states. Using the methylene radical, and both planar and twisted…

Introductory chemistry students encounter the concept of hybrid orbitals as a transition from atomic orbitals to molecular bonding. The principal purpose of learning hybridization in the undergraduate curriculum is to impart an understanding of the origins of molecular bonding and geometry. Physical models of both individual hybrid orbitals and…

The goal of this study was to investigate the timing of online homework completion and its effects on student performance. Data was collected from two large, first-semester general chemistry sections at a southwestern university. Specifically, this study aims to explore the link between when students complete their homework relative to the date…

The subject of molecular structures is one of the most important and complex subject in chemistry which a majority of the undergraduate students have difficulties to understand its concepts and characteristics correctly. To comprehend the molecular structures and their characteristics the students need to understand related subjects such as Lewis…

A hands-on activity appropriate for first-semester general chemistry students is presented that combines traditional VSEPR methods of predicting molecular geometries with introductory use of molecular modeling. Students analyze a series of previously calculated output files consisting of several molecules each in various geometries. Each structure…

The use of hand-held 3D printing technology provides a unique and engaging approach to learning VSEPR theory by enabling students to draw three-dimensional depictions of different molecular geometries, giving them an appreciation of the shapes of the building blocks of complex molecular structures. Students are provided with 3D printing pens and…

The ever-increasing impact of molecular quantum calculations over chemical sciences implies a strong and urgent need for the elaboration of proper teaching strategies in university curricula. In such perspective, this paper proposes an extensive project for a student-driven, cooperative, from-scratch implementation of a general Hartree-Fock…

Both, virtual and printed 3D crystal models can help students and teachers deal with chemical education topics such as symmetry and point groups. In the present paper, two freely downloadable tools (interactive PDF files and a mobile app) are presented as examples of the application of 3D design to study point-symmetry. The use of 3D printing to…

A computational experiment that investigates single-walled carbon nanotubes (SWNTs) has been developed and employed in an upper-level undergraduate physical chemistry laboratory course. Computations were carried out to determine the electronic structure, radial breathing modes, and the influence of the nanotube's diameter on the…