Exploring Chemistry with Electronic Structure Methods - Gaussian.com
If you're looking for the definitive guide to computational chemistry, "Exploring Chemistry with Electronic Structure Methods
"Exploring Chemistry with Electronic Structure Methods, 3rd Edition" is a comprehensive textbook that delves into the realm of computational chemistry, focusing on electronic structure methods. This book is an invaluable resource for students, researchers, and professionals seeking to understand the intricacies of molecular structure, reactivity, and properties through computational modeling. excited states (TD-DFT)
: Modeling reactions in solution (SMD model), excited states (TD-DFT), and large biomolecules (ONIOM). Theoretical Background "Exploring Chemistry with Electronic Structure Methods
: The companion site ExpChem3.com provides supplemental materials, such as conformational searching details and errata.
The 3rd edition of "Exploring Chemistry with Electronic Structure Methods" includes several significant updates and improvements: