This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in mole

Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemist

Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian for

This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contai

This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field