Quantum Chemical and Molecular Dynamics Simulations for Beginners

Quantum Chemical and Molecular Dynamics Simulations for Beginners

Versandkostenfrei!
Erscheint vorauss. 19. Dezember 2025
105,99 €
inkl. MwSt.
PAYBACK Punkte
53 °P sammeln!
This book provides an in-depth exploration of the dynamic field of computational chemistry. Spanning seven meticulously crafted chapters, it begins by laying a solid foundation in quantum chemistry and electronic structure theory, introducing essential tools and software that underpin computational chemistry calculations. The journey continues with a comprehensive examination of transition state analysis for interpreting reaction mechanisms, followed by an insightful discussion on modern solvation studies using QM/MM techniques and the practical implementation of hybrid models. The book conclu...