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.

Table of Contents:
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