Using Computational Methods To Teach Chemical Principles

Title, Copyright, Foreword

Using Computational Methods To Teach Chemical Principles: Overview

Alexander Grushow & Melissa S. Reeves

Molecular Dynamics Simulations in First-Semester General Chemistry: Visualizing Gas Particle Motion and Making Connections to Mathematical Gas Law Relationships

C. D. Bruce

Using Electronic Structure Calculations To Investigate the Kinetics of Gas-Phase Ammonia Synthesis

Kelsey M. Stocker

Modeling Reaction Energies and Exploring Noble Gas Chemistry in the Physical Chemistry Laboratory

James A. Phillips

How Can You Measure a Reaction Enthalpy without Going into the Lab?

Using Computational Chemistry Data to Draw a Conclusion

Melissa S. Reeves, H. Laine Berghout, Mark J. Perri, Steven M. Singleton & Robert M. Whitnell

Process Oriented Guided Inquiry Learning Computational Chemistry Experiments: Revisions and Extensions Based on Lessons Learned from Implementation

Robert M. Whitnell & Melissa S. Reeves

Chem Compute Science Gateway: An Online Computational Chemistry Tool

Mark J. Perri, Mary Akinmurele & Matthew Haynie

Using Computational Chemistry to Extend the Acetylene Rovibrational Spectrum to C₂T₂

William R. Martin & David W. Ball

Introducing Quantum Calculations into the Physical Chemistry Laboratory

Thomas C. DeVore

Learning by Computing: A First Year Honors Chemistry Curriculum

Arun K. Sharma & Lukshmi Asirwatham

Integrating Computational Chemistry into an Organic Chemistry Laboratory Curriculum Using WebMO

Brian J. Esselman & Nicholas J. Hill

Computational Narrative Activities: Combining Computing, Context, and Communication To Teach Chemical Concepts

Steven M. Singleton

Computational Chemistry as a Course for Students Majoring in the Sciences

Lorena Tribe

Beyond the Analytical Solution: Using Mathematical Software To Enhance Understanding of Physical Chemistry

Ashley Ringer McDonald & John P. Hagen

A Lab Course in Computational Chemistry Is Not About Computers

Alexander Grushow

Discovery-Based Computational Activities in the Undergraduate Chemistry Curriculum

Yana Kholod & Dmytro Kosenkov

Using the Hydrogen Bond as a Platform for the Enhancement of Integrative Learning

Harry L. Price

Editors’ Biographies

Subject Index