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Developing and Applying Computational Resources for Biochemistry Education
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Craig, Paul A. – Biochemistry and Molecular Biology Education, 2020
Biochemistry is about structure and function, but it is also about data and this is where computers come in. From my time as a graduate student and post doc, whenever I encountered data I thought, "I can work this up by hand, but I think a computer could do a better job." Since that time, I have been working at the interface of…
Descriptors: Biochemistry, Science Education, Computation, Computer Simulation
Web-Based Animated Tutorials Using Screen Capturing Software for Molecular Modeling and Spectroscopic Acquisition and Processing
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D'Ambruoso, Gemma D.; Cremeens, Matthew E.; Hendricks, Brett R. – Journal of Chemical Education, 2018
Instructional videos have been prepared using Adobe Captivate software to create animated tutorials to capture instrument and molecular modeling software simulations and to allow for increased independent hands-on instrument use by students and faster training for instructors and teaching assistants. The videos are available on YouTube and can be…
Descriptors: Animation, Computer Software, Student Surveys, Computer Simulation
Anisotropic Rotational Diffusion Studied by Nuclear Spin Relaxation and Molecular Dynamics Simulation: An Undergraduate Physical Chemistry Laboratory
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Fuson, Michael M. – Journal of Chemical Education, 2017
Laboratories studying the anisotropic rotational diffusion of bromobenzene using nuclear spin relaxation and molecular dynamics simulations are described. For many undergraduates, visualizing molecular motion is challenging. Undergraduates rarely encounter laboratories that directly assess molecular motion, and so the concept remains an…
Descriptors: College Science, Undergraduate Study, Chemistry, Science Instruction
Asymmetric Epoxidation: A Twinned Laboratory and Molecular Modeling Experiment for Upper-Level Organic Chemistry Students
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Hii, King Kuok; Rzepa, Henry S.; Smith, Edward H. – Journal of Chemical Education, 2015
The coupling of a student experiment involving the preparation and use of a catalyst for the asymmetric epoxidation of an alkene with computational simulations of various properties of the resulting epoxide is set out in the form of a software toolbox from which students select appropriate components. At the core of these are the computational…
Descriptors: Organic Chemistry, Laboratory Experiments, Science Experiments, College Science
Particle in a Disk: A Spectroscopic and Computational Laboratory Exercise Studying the Polycyclic Aromatic Hydrocarbon Corannulene
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Frey, E. Ramsey; Sygula, Andrzej; Hammer, Nathan I. – Journal of Chemical Education, 2014
This laboratory exercise introduces undergraduate chemistry majors to the spectroscopic and theoretical study of the polycyclic aromatic hydrocarbon (PAH), corannulene. Students explore the spectroscopic properties of corannulene using UV-vis and Raman vibrational spectroscopies. They compare their experimental results to simulated vibrational…
Descriptors: Undergraduate Students, Chemistry, Spectroscopy, Molecular Structure
Computer Series, 112.
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Birk, James P., Ed. – Journal of Chemical Education, 1990
Four microcomputer applications are presented including: "Computer Simulated Process of 'Lead Optimization': A Student-Interactive Program,""A PROLOG Program for the Generation of Molecular Formulas,""Determination of Inflection Points from Experimental Data," and "LAOCOON PC: NMR Simulation on a Personal Computer." Software, availability,…
Descriptors: Atomic Structure, Chemical Analysis, Chemistry, College Science