دانلود کتاب Using Computational Methods to Teach Chemical Principles

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Foreword......Page 6
Contents......Page 8
1 Using Computational Methods To Teach Chemical Principles: Overview......Page 10
2 Molecular Dynamics Simulations in First-Semester General Chemistry: Visualizing Gas Particle Motion and Making Connections to Mathematical Gas Law Relationships......Page 20
3 Using Electronic Structure Calculations To Investigate the Kinetics of Gas-Phase Ammonia Synthesis......Page 30
4 Modeling Reaction Energies and Exploring Noble Gas Chemistry in the Physical Chemistry Laboratory......Page 42
5 How Can You Measure a Reaction Enthalpy without Going into the Lab? ......Page 60
6 Process Oriented Guided Inquiry Learning Computational Chemistry Experiments: Revisions and Extensions Based on Lessons Learned from Implementation......Page 74
7 Chem Compute Science Gateway: An Online Computational Chemistry Tool......Page 88
8 Using Computational Chemistry to Extend the Acetylene Rovibrational Spectrum to C2T2......Page 102
9 Introducing Quantum Calculations into the Physical Chemistry Laboratory......Page 118
10 Learning by Computing: A First Year Honors Chemistry Curriculum......Page 136
11 Integrating Computational Chemistry into an Organic Chemistry Laboratory Curriculum Using WebMO......Page 148
12 Computational Narrative Activities: Combining Computing,Context, and Communication To Teach Chemical Concepts......Page 172
13 Computational Chemistry as a Course for Students Majoring in the Sciences......Page 192
14 Beyond the Analytical Solution: Using Mathematical Software To Enhance Understanding of Physical Chemistry......Page 204
15 A Lab Course in Computational Chemistry Is Not About Computers......Page 220
16 Discovery-Based Computational Activities in theUndergraduate Chemistry Curriculum......Page 236
17 Using the Hydrogen Bond as a Platform for the Enhancement of Integrative Learning......Page 254
Editors’ Biographies......Page 268
Author Index......Page 272
Subject Index......Page 274