| Computational chemistry, including electronic structure modeling, is a fast and accurate tool for treating large chemically meaningful systems. Unique among current quantum chemistry texts, Electronic Structure Modeling: Connections Between Theory and Software enables nonspecialists to employ computational methods in their own investigations.
The text illustrates theoretical methods with numerical detail and model calculations. It clarifies what these modeling programs can do, their known pathologies, which ones are suited for specific kinds of projects, and how to reproduce them using the accompanying PC-LOBE bundled software. While elucidating gradient-based molecular structure optimization, the text reviews notable successes and unsolved problems or failures in electronic structure modeling. It also describes the theory and computation of circular dichroism and optical rotation, including magnetically induced optical phenomena.
Offering an accessible introduction to computational methods, Electronic Structure Modeling permits users to practice modeling with a full understanding of the algorithms that support their calculations. |
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Switching Power Supply Design, 3rd Ed.
The World's #1 Guide to Power Supply Design Now Updated!
Recognized worldwide as the definitive guide to power supply design for over 25 years, Switching Power Supply Design has been updated to cover the latest innovations in technology, materials, and components. This Third Edition presents the basic... | | | | Developing Applications with Salesforce Chatter
Make your business more social with Salesforce Chatter. This book walks you through configuring and customizing Chatter to boost collaboration in your organization. Can be used as a reference book or complete guide.
Overview
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Understand Salesforce Chatter and its architecture.
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Configure and...
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