| Journal Articles: 25 results |
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Using Molecular Dynamics Simulation To Reinforce Student Understanding of Intermolecular Forces Phillip R. Burkholder, Gordon H. Purser, and Renee S. Cole
This article presents a series of experiments incorporating molecular dynamics simulations which predict the motion of chemical species based on the application of empirical rules and a physical analysis of the forces that act between the species. These motions can then be shown in vivid graphical form.
Burkholder, Phillip R.; Purser, Gordon H.; Cole, Renee S. J. Chem. Educ. 2008, 85, 1071.
Computational Chemistry |
Hydrogen Bonding |
Molecular Mechanics / Dynamics |
Physical Properties |
Solutions / Solvents
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Dancing Crystals: A Dramatic Illustration of Intermolecular Forces Donald W. Mundell
Crystals of naphthalene form on the surface of an acetone solution and dance about in an animated fashion illustrating surface tension, crystallization, and intermolecular forces. Additional experiments reveal the properties of the solution and previous demonstrations of surface motion are explored.
Mundell, Donald W. J. Chem. Educ. 2007, 84, 1773.
Aromatic Compounds |
Liquids |
Molecular Mechanics / Dynamics |
Molecular Properties / Structure |
Physical Properties |
Surface Science |
Noncovalent Interactions
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Molecular Model of Zincon William F. Coleman
The Featured Molecules this month are the tautomeric forms of the colorimetric reagent zincon. The structures could be used as an introduction to the concept of tautomerism, with students being asked to develop a definition of the term based on their observations of the difference(s) in linkage in the two forms.
Coleman, William F. J. Chem. Educ. 2007, 84, 305.
Biological Cells |
Calorimetry / Thermochemistry |
Water / Water Chemistry |
Molecular Mechanics / Dynamics |
Molecular Modeling |
Molecular Properties / Structure
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Copper and Nickel Complex Ions William F. Coleman
The Featured Molecules this month include all eight isomeric forms of [Ni(en)3]2+, demonstrating the effects of ligand backbone conformation.
Coleman, William F. J. Chem. Educ. 2006, 83, 1248.
Amino Acids |
Molecular Mechanics / Dynamics |
Molecular Modeling |
Molecular Properties / Structure
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Amino Acids William F. Coleman
The Featured Molecules this month are the 20 standard alpha-amino acids found in proteins. The molecules are presented in two formats, the neutral form and the ionized form found in solution at physiologic pH.
Coleman, William F. J. Chem. Educ. 2006, 83, 1103.
Amino Acids |
Proteins / Peptides |
Molecular Properties / Structure |
Molecular Modeling |
Molecular Mechanics / Dynamics
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Mechanisms That Interchange Axial and Equatorial Atoms in Fluxional Processes: Illustration of the Berry Pseudorotation, the Turnstile, and the Lever Mechanisms via Animation of Transition State Normal Vibrational Modes Marion E. Cass, King Kuok Hii, and Henry S. Rzepa
Teaching the Berry pseudorotation mechanism presents particular pedagogic problems due to both its dynamic and three dimensional character. The approach described here illustrates these processes using interactive animations embedded in a Web page.
Cass, Marion E.; Hii, King Kuok; Rzepa, Henry S. J. Chem. Educ. 2006, 83, 336.
Computational Chemistry |
Enantiomers |
Molecular Mechanics / Dynamics |
Molecular Properties / Structure |
Mechanisms of Reactions |
NMR Spectroscopy |
Nonmetals
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Using Jmol To Help Students Better Understand Fluxional Processes William F. Coleman and Edward W. Fedosky
This new WebWare neatly combines instructional text and Jmol interactive, animated illustrations to teach mechanisms that need to be clearly visualized in order to be well understood.
Coleman, William F.; Fedosky, Edward W. J. Chem. Educ. 2006, 83, 336.
Computational Chemistry |
Enantiomers |
Mechanisms of Reactions |
Molecular Mechanics / Dynamics |
Molecular Properties / Structure |
NMR Spectroscopy |
Nonmetals
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Molecular Visualization in Science Education: An Evaluation of the NSF-Sponsored Workshop Thomas J. José and Vickie M. Williamson
This report discusses the perceptions and recommendations of participants who attended an invitational workshop on molecular visualization. The Workshop on Molecular Visualization in Science Education sought to encourage collaboration among diverse communities and promote interdisciplinary research in molecular visualization. A group of research scientists, cognitive scientists, chemical and science educators, and software developers participated. As part of the evaluation of this NSF-funded project, changes in attitude and behavior were measured through observation, pre- and post-workshop surveys given onsite, and a one-year follow-up questionnaire.
José, Thomas J.; Williamson, Vickie M. J. Chem. Educ. 2005, 82, 937.
Conferences |
Enrichment / Review Materials |
Molecular Mechanics / Dynamics |
Molecular Modeling |
Professional Development
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Laboratory Sequence in Computational Methods for Introductory Chemistry Jason A. Cody and Dawn C. Wiser
Description of a four-week laboratory sequence that exposes students to instrumentation (FT-NMR, GC) and computational chemistry.
Cody, Jason A.; Wiser, Dawn C. J. Chem. Educ. 2003, 80, 793.
Chromatography |
Computational Chemistry |
Noncovalent Interactions |
MO Theory |
Molecular Modeling |
Molecular Mechanics / Dynamics |
Molecular Properties / Structure |
NMR Spectroscopy |
Gas Chromatography
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Equilibrium Matthew Sandberg and Michael K. Bellamy
Software (applet) to help students visualize what actually happens in an equilibrium system.
Sandberg, Matthew ; Bellamy, Michael K. J. Chem. Educ. 2003, 80, 456.
Equilibrium |
Molecular Modeling |
Molecular Mechanics / Dynamics
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Using Computer-Based Visualization Strategies to Improve Students' Understanding of Molecular Polarity and Miscibility Michael J. Sanger and Steven M. Badger II
Study of how the use of visualization strategies associated with dynamic computer animations and electron density plots affect students' conceptual understanding of molecular polarity and miscibility.
Sanger, Michael J.; Badger, Steven M., II. J. Chem. Educ. 2001, 78, 1412.
Molecular Properties / Structure |
Solutions / Solvents |
Molecular Modeling |
Molecular Mechanics / Dynamics
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Orbital Models Made of Plastic Soda Bottles Vyacheslav V. Samoshin
The models for demonstration of shape and direction of atomic and molecular orbitals, their overlaps, interactions, and hybridizations may be easily constructed from plastic soda bottles. When the bottles are screwed into the lids, the models of sp3, sp2, or sp hybridized atoms are obtained.
Samoshin, Vyacheslav V. J. Chem. Educ. 1998, 75, 985.
Molecular Mechanics / Dynamics |
Molecular Modeling |
Atomic Properties / Structure
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Audience-Appropriate Analogies: Collision Theory Kent W. Piepgrass
This article presents two new analogies for collision theory based on arcade games and on the interactions between salesclerks and customers in a store. The uses, limitations, and possible extensions of the analogies are discussed.
Piepgrass, Kent W. J. Chem. Educ. 1998, 75, 724.
Learning Theories |
Mechanisms of Reactions |
Kinetics
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Pictorial Analogies XIII: Kinetics and Mechanism Fortman, John J.
Pictorial analogies for first order kinetics, the effect of concentration and temperature on reaction rate, and the requirement for proper molecular orientation for reaction.
Fortman, John J. J. Chem. Educ. 1994, 71, 848.
Mechanisms of Reactions |
Rate Law |
Reactions
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Bean counter's caution Schwartz, Leslie J.
The article "The "Bean Lab' is useful only for elementary mechanisms.
Schwartz, Leslie J. J. Chem. Educ. 1993, 70, 1042.
Equilibrium |
Mechanisms of Reactions
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Molecular dynamics of the F + H2 chemical reaction Kutz, H. Douglas; Copeland, Jonathan H.; Mathai, George T.
Software that presents the F + H2 reaction in terms of the potential energy surface and associated reaction dynamics.
Kutz, H. Douglas; Copeland, Jonathan H.; Mathai, George T. J. Chem. Educ. 1992, 69, 1011.
Molecular Mechanics / Dynamics |
Reactions
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The catalytic function of enzymes Splittgerber, Allan G.
Review of the structure, function, and factors that influence the action of enzymes.
Splittgerber, Allan G. J. Chem. Educ. 1985, 62, 1008.
Catalysis |
Enzymes |
Mechanisms of Reactions |
Proteins / Peptides |
Molecular Properties / Structure
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Kinetics and mechanism-a games approach Harsch, Gunther
Using statistical games to simulate and illustrate a variety of chemical kinetics.
Harsch, Gunther J. Chem. Educ. 1984, 61, 1039.
Kinetics |
Mechanisms of Reactions |
Catalysis |
Rate Law
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Drawing of ball and stick type molecular models with hidden line elimination Nakano, Hidehiko; Sangen, Osamu; Yamamoto, Yoshitake
37. Bits and pieces, 14. These authors have developed a simple computer program for drawing molecular structures by microcomputers.
Nakano, Hidehiko; Sangen, Osamu; Yamamoto, Yoshitake J. Chem. Educ. 1983, 60, 98.
Molecular Mechanics / Dynamics |
Molecular Properties / Structure
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The revolution in elementary kinetics and freshman chemistry Wolfgang, Richard
New developments in kinetics so fundamentally affect our most elementary conception of chemical change that they must inevitably be reflected in beginning courses in chemistry; includes an outline for freshmen on elementary chemical dynamics.
Wolfgang, Richard J. Chem. Educ. 1968, 45, 359.
Kinetics |
Rate Law |
Mechanisms of Reactions
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Chemical dynamics for college freshmen Hammond, George S.; Gray, Harry B.
Suggestions for topics regarding chemical dynamics to be considered in freshman chemistry.
Hammond, George S.; Gray, Harry B. J. Chem. Educ. 1968, 45, 354.
Thermodynamics |
Kinetics |
Reactions |
Mechanisms of Reactions |
Rate Law
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KineticsEarly and often Campbell, J. A.
Describes an approach to investigating kinetics and its application to the "blue bottle" experiment.
Campbell, J. A. J. Chem. Educ. 1963, 40, 578.
Kinetics |
Equilibrium |
Mechanisms of Reactions
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Some aspects of chemical kinetics for elementary chemistry Benson, Sidney W.
The author suggests greater efforts to address the issue of kinetics and reaction mechanisms in introductory chemistry.
Benson, Sidney W. J. Chem. Educ. 1962, 39, 321.
Kinetic-Molecular Theory |
Gases |
Kinetics |
Mechanisms of Reactions |
Descriptive Chemistry
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Oxidation-reduction mechanisms Duke, F. R.
Summarizes various types of oxidation-reduction mechanisms.
Duke, F. R. J. Chem. Educ. 1961, 38, 161.
Oxidation / Reduction |
Mechanisms of Reactions
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Chemistry in the manufacture of modern gasoline Kimberlin, C. N., Jr.
This paper presents a brief review of the chemistry involved in the manufacture of gasoline, particularly catalytic cracking reactions.
Kimberlin, C. N., Jr. J. Chem. Educ. 1957, 34, 569.
Industrial Chemistry |
Applications of Chemistry |
Catalysis |
Mechanisms of Reactions
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