Using computational methods to teach chemical principles
著者
書誌事項
Using computational methods to teach chemical principles
（ACS symposium series, 1312）
American Chemical Society, c2019
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注記
"Based on the 254th American Chemical Society national meeting, held in 2017, in Washington, DC"--Publication data
Includes bibliographical references and indexes
内容説明・目次
内容説明
While computational chemistry methods are usually a research topic of their own, even in the undergraduate curriculum, many methods are becoming part of the mainstream and can be used to appropriately compute chemical parameters that are not easily measured in the undergraduate laboratory. These calculations can be used to help students explore and understand chemical principles and properties. Visualization and animation of structures and properties are also aids in
students' exploration of chemistry. This book will focus on the use of computational chemistry as a tool to teach chemical principles in the classroom and the laboratory.
目次
Chapter 1. Using Computational Methods To Teach Chemical Principles: Overview, Alexander Grushow and Melissa S. Reeves
Chapter 2. Molecular Dynamics Simulations in First-Semester General Chemistry: Visualizing Gas Particle Motion and Making Connections to Mathematical Gas Law Relationships, C. D. Bruce
Chapter 3. Using Electronic Structure Calculations To Investigate the Kinetics of Gas-Phase Ammonia Synthesis, Kelsey M. Stocker
Chapter 4. Modeling Reaction Energies and Exploring Noble Gas Chemistry in the Physical Chemistry Laboratory, James A. Phillips
Chapter 5. How Can You Measure a Reaction Enthalpy without Going into the Lab?, Melissa S. Reeves, H. Laine Berghout, Mark J. Perri, Steven M. Singleton, and Robert M. Whitnell
Chapter 6. Process Oriented Guided Inquiry Learning Computational Chemistry Experiments: Revisions and Extensions Based on Lessons Learned from Implementation, Robert M. Whitnell and Melissa S. Reeves
Chapter 7. Chem Compute Science Gateway: An Online Computational Chemistry Tool, Mark J. Perri, Mary Akinmurele, and Matthew Haynie
Chapter 8. Using Computational Chemistry to Extend the Acetylene Rovibrational Spectrum to C2T2, William R. Martin and David W. Ball
Chapter 9. Introducing Quantum Calculations into the Physical Chemistry Laboratory, Thomas C. DeVore
Chapter 10. Learning by Computing: A First Year Honors Chemistry Curriculum, Arun K. Sharma and Lukshmi Asirwatham
Chapter 11. Integrating Computational Chemistry into an Organic Chemistry Laboratory Curriculum Using WebMO, Brian J. Esselman and Nicholas J. Hill
Chapter 12. Computational Narrative Activities: Combining Computing, Context, and Communication To Teach Chemical Concepts, Steven M. Singleton
Chapter 13. Computational Chemistry as a Course for Students Majoring in the Sciences, Lorena Tribe
Chapter 14. Beyond the Analytical Solution: Using Mathematical Software To Enhance Understanding of Physical Chemistry, Ashley Ringer McDonald and John P. Hagen
Chapter 15. A Lab Course in Computational Chemistry Is Not About Computers, Alexander Grushow
Chapter 16. Discovery-Based Computational Activities in the Undergraduate ChemistryCurriculum, Yana Kholod and Dmytro Kosenkov
Chapter 17. Using the Hydrogen Bond as a Platform for the Enhancement of Integrative Learning, Harry L. Price
Editors' Biographies
Indexes
Author Index
Subject Index
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