Computational Chemistry for Experimentalists: A Nonspecialist's Guide to Practical and Predictive Simulations
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Computational Chemistry for Experimentalists: A Nonspecialist's Guide to Practical and Predictive Simulations
Offers a straightforward entry point for experimentalists into computational chemistry for non-specialists
Founded on the principle that computational chemistry's fundamental concepts, such as chemical bonding, hybridization, and molecular structure, are core chemical knowledge shared by all chemists
Selected chapters conclude with a 'Mathematical and Computational Details' section, including relevant equations and algorithmic details
Modular structure allows readers to quickly acquire the most relevant knowledge
Different chemists (e.g., NMR spectroscopists, solid-state chemists, organometallic chemists) can read the text, each building from core modules to modules relevant to their own experiments
Each text module is paired with online video tutorials, frequently updated by the author, providing real-world, hands-on training using various software packages