Computational Chemistry for Experimentalists: A Nonspecialist's Guide to Practical and Predictive Simulations

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