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.
Author(s): Alexander Grushow, Melissa S. Reeves
Series: ACS Symposium Series
Publisher: Oxford University Press
Year: 2020
Language: English
Pages: 288
City: New York
Foreword
Contents
1 Using Computational Methods To Teach Chemical Principles: Overview
2 Molecular Dynamics Simulations in First-Semester General Chemistry: Visualizing Gas Particle Motion and Making Connections to Mathematical Gas Law Relationships
3 Using Electronic Structure Calculations To Investigate the Kinetics of Gas-Phase Ammonia Synthesis
4 Modeling Reaction Energies and Exploring Noble Gas Chemistry in the Physical Chemistry Laboratory
5 How Can You Measure a Reaction Enthalpy without Going into the Lab?
6 Process Oriented Guided Inquiry Learning Computational Chemistry Experiments: Revisions and Extensions Based on Lessons Learned from Implementation
7 Chem Compute Science Gateway: An Online Computational Chemistry Tool
8 Using Computational Chemistry to Extend the Acetylene Rovibrational Spectrum to C2T2
9 Introducing Quantum Calculations into the Physical Chemistry Laboratory
10 Learning by Computing: A First Year Honors Chemistry Curriculum
11 Integrating Computational Chemistry into an Organic Chemistry Laboratory Curriculum Using WebMO
12 Computational Narrative Activities: Combining Computing,Context, and Communication To Teach Chemical Concepts
13 Computational Chemistry as a Course for Students Majoring in the Sciences
14 Beyond the Analytical Solution: Using Mathematical Software To Enhance Understanding of Physical Chemistry
15 A Lab Course in Computational Chemistry Is Not About Computers
16 Discovery-Based Computational Activities in theUndergraduate Chemistry Curriculum
17 Using the Hydrogen Bond as a Platform for the Enhancement of Integrative Learning
Editors’ Biographies
Author Index
Subject Index
