NotesFAQContact Us
Collection
Advanced
Search Tips
Laws, Policies, & Programs
Assessments and Surveys
What Works Clearinghouse Rating
Showing 1 to 15 of 59 results Save | Export
Peer reviewed Peer reviewed
Direct linkDirect link
Choirun Nisaa Rangkuti; Suci Faniandari; A. Suparmi; Yanoar Pribadi Sarwono – Journal of Chemical Education, 2024
As a widely applied theory that has found success across many fields, density functional theory (DFT) is largely taught. Typically, the most effective way to convey DFT concepts is through illustrative examples that are currently lacking in available resources. In this work, we demonstrate total energy calculations for H[subscript 2] using…
Descriptors: Scientific Concepts, Molecular Structure, Science Education, Chemistry
Victor Lebora´n; Francisco Rivadulla – Journal of Chemical Education, 2023
The process of diffusion is intimately related to random molecular displacement and is central to many problems in chemistry. Here, we provide an intuitive derivation of the diffusion equation based on the analysis of the random trajectories of particles generated and plotted by simple MATLAB and Python scripts. The codes are very simple and…
Descriptors: Computer Software, Chemistry, Science Instruction, Scientific Concepts
Peer reviewed Peer reviewed
Direct linkDirect link
Neha Sharma; Bharti Badhani; Bhashyam Vaijayanthi; Priyanka Aggarwal; Anshika Gupta – Journal of Chemical Education, 2023
The introduction of Computational Chemistry via "Molecular Modelling and Drug Design" course at undergraduate level has opened wide possibilities for students to expand their knowledge of quantum chemistry, organic reaction mechanisms, protein-ligand interactions, drug design, and probable "in vivo" behavior of drug candidates.…
Descriptors: Computation, Undergraduate Study, Chemistry, Molecular Structure
Peer reviewed Peer reviewed
Direct linkDirect link
Junxi Zou; Xiaoyu Wang; Xuan Liu; Yuan Zheng; Wei Shao; Qing-Wei Zhang; Pingping Zhu; Lingling Li – Journal of Chemical Education, 2024
The crystalline sponge method allows for direct and precise molecular structure determination of liquid and gaseous targets and thus has been recognized as a revolutionary breakthrough in crystallography. To expose undergraduates to this cutting-edge technique, we have developed a comprehensive laboratory experiment with reaction conditions and…
Descriptors: Undergraduate Study, College Science, Laboratory Experiments, Molecular Structure
Peer reviewed Peer reviewed
PDF on ERIC Download full text
Hootan Roshandel; Matthew Shammami; Shiyun Lin; Yin-Pok Wong; Paula L. Diaconescu – Journal of Chemical Education, 2023
The rise of virtual and online education in recent years has led to the development and popularization of many online tools, notably three-dimensional (3D) models and augmented reality (AR), for visualizing various structures in chemical sciences. The majority of the developed tools focus on either small molecules or biological systems, as…
Descriptors: Plastics, Science Instruction, Chemistry, Computer Software
Peer reviewed Peer reviewed
Direct linkDirect link
Audrey G. Fikes; Melissa C. Srougi – Journal of Chemical Education, 2023
The application of chemistry concepts in biological settings plays an important role in the interdisciplinary field of drug discovery and development. This is true for molecular docking, where an understanding of intermolecular forces and noncovalent interactions is useful for rational drug design and development. Here we report the design and use…
Descriptors: Chemistry, Science Instruction, Molecular Structure, Drug Therapy
Peer reviewed Peer reviewed
Direct linkDirect link
Soule`re, Laurent – Journal of Chemical Education, 2021
We report a molecular modeling study for undergraduate students aimed at carrying out an analysis of small molecules using a systematic conformational search with VEGA ZZ, a freely available software program. Conformational analyses were performed using a systematic search based on variations of torsion angles. First, the conformations of n-butane…
Descriptors: Computer Assisted Instruction, Computer Software, Open Source Technology, Undergraduate Students
Peer reviewed Peer reviewed
Direct linkDirect link
Chatterjee, Sourav; Moon, Sooyeon; Rowlands, Amanda; Chin, Fred; Seeberger, Peter H.; Merbouh, Nabyl; Gilmore, Kerry – Journal of Chemical Education, 2021
While chemistry exists in three dimensions, it is presented in two. This down-conversion results in a significant loss in information and often necessitates multiple images/figures to convey the complexity, intricacy, and beauty of a given structure. Currently, three-dimensional models are built to allow students to interact with molecules.…
Descriptors: Chemistry, Science Instruction, Molecular Structure, Teaching Methods
Peer reviewed Peer reviewed
Direct linkDirect link
Brandon Thrope; Alan Rogerio Ferreira Lima; Alexandre Henrique Pinto – Journal of Chemical Education, 2022
Recently there is an increasing need for experiments that can be conducted remotely. In this sense, this paper presents three experiments about materials science and an X-ray diffraction (XRD) technique that can be taught and performed entirely remotely. The first experiment is about the calculation of lattice parameters, atomic radii, and…
Descriptors: Chemistry, Science Instruction, Pharmacology, Drug Therapy
Peer reviewed Peer reviewed
Direct linkDirect link
Fombona-Pascual, Alba; Fombona, Javier; Vazquez-Cano, Esteban – Chemistry Education Research and Practice, 2022
Atomic/molecular visualization for human sight is usually generated by a software that reproduces a 3D reality on a 2D screen. Although Virtual Reality (VR) software was originally developed for the gaming industry, now it is used in academia for chemistry teaching. This work reviews the scientific literature on 3D visualization in stereoscopic…
Descriptors: Chemistry, Science Instruction, Scientific Research, Molecular Structure
Peer reviewed Peer reviewed
Direct linkDirect link
Magalhães, Alexandre L. – Journal of Chemical Education, 2020
A bachelor's degree program in chemistry typically starts with basic concepts in mathematics, physics, and chemistry. Those principles are very important because they pave the ground for future advanced studies and, therefore, one needs to present them in a clear but rigorous way. One example is provided by the mathematical notion of an iterative…
Descriptors: Spreadsheets, Chemistry, Science Instruction, Undergraduate Students
Peer reviewed Peer reviewed
Direct linkDirect link
Nagaoka, Shin-ichi; Kokubo, Tatsunobu; Teramae, Hiroyuki; Nagashima?, Umpei – Journal of Chemical Education, 2018
At an advanced stage of learning quantum chemistry, undergraduate students usually encounter simple Hückel-molecular-orbital (HMO) theory, whose primitive approach gives very useful insight into the electronic structure of p-conjugated molecules. However, on one hand, computational HMO software, when programmed without using molecular symmetry,…
Descriptors: Visualization, Chemistry, Science Instruction, Molecular Structure
Peer reviewed Peer reviewed
Direct linkDirect link
Vanderveen, Jesse R.; Jessop, Philip G. – Journal of Chemical Education, 2021
Selecting less hazardous chemicals is a core tenet of green chemistry but is difficult to teach in practice. The upper-year undergraduate or graduate level exercise described here empowers students to make such decisions themselves. Students are tasked with finding the greenest chemical for a specific purpose described in a hypothetical scenario,…
Descriptors: Teaching Methods, Decision Making, Chemistry, Hazardous Materials
Peer reviewed Peer reviewed
Direct linkDirect link
Jones, Oliver A. H.; Spencer, Michelle J. S. – Journal of Chemical Education, 2018
Using tangible models to help students visualize chemical structures in three dimensions has been a mainstay of chemistry education for many years. Conventional chemistry modeling kits are, however, limited in the types and accuracy of the molecules, bonds and structures they can be used to build. The recent development of 3D printing technology…
Descriptors: Computer Peripherals, Printing, Chemistry, Molecular Structure
Peer reviewed Peer reviewed
Direct linkDirect link
O'Neil, Natalie J.; Scott, Star; Relph, Rachael; Ponnusamy, Ettigounder – Journal of Chemical Education, 2021
A systems thinking approach to incorporating green chemistry and safety into laboratory culture is vital, as chemists will be at the molecular level of the innovative solutions to our global challenges. Training chemists to have the skills and culture to accomplish this feat in the safest way possible is pivotal to safe working conditions within…
Descriptors: Chemistry, Science Instruction, Undergraduate Students, Laboratory Safety
Previous Page | Next Page »
Pages: 1  |  2  |  3  |  4