Quantum & theoretical chemistry books

The textbook is intended for the undergraduate and postgraduate students of chemistry, biology and medicine. It...  Read More >>

This book comprehensively reviews assorted types of coatings, their applications, and various strategies employed...  Read More >>

This book presents an essential survey of the state of the art in the application of diverse computational methods...  Read More >>

The topological origins of Quantum Theory of Atoms in Molecules (QTAIM) before explaining the highlights and consequences...  Read More >>

This textbook is intended for undergraduate and postgraduate students in organic chemistry. It describes the synthesis...  Read More >>

The book also introduces the reader to the major drug databases covering drug molecules, chemicals, therapeutic...  Read More >>

In this thesis, the author developed cross-coupling reactions that proceed in the solid state without using organic...  Read More >>

This textbook forms the basis for an advanced undergraduate or graduate level quantum chemistry course, and can...  Read More >>

This textbook provides a comprehensive introduction to the mathematical foundations of quantum statistical physics....  Read More >>

This book outlines past and new developments in molecular response theory in terms of static and dynamic-induced...  Read More >>

This concise volume examines the characteristic electronic parameters of semiconductor interfaces, namely the barrier...  Read More >>

Spontaneous pattern formation in nonlinear dissipative systems far from equilibrium is a paradigmatic case of emergent...  Read More >>

This contributed volume overviews recently presented approaches for carrying out QSPR/QSAR analysis by using a simplifying...  Read More >>

This is the fourth edition of the successful textbook on computational chemistry which continues to provide a comprehensive...  Read More >>

This book contains peer-reviewed contributions based on talks presented at the 25th International Workshop on Quantum...  Read More >>

This book proposes a completely unique reaction kinetics theory based on the uncertainty principle of quantum mechanics;...  Read More >>

The tutorials are well chosen, designed for maximum effectiveness while requiring a minimum of the reader’s time,...  Read More >>

This volume of the Encyclopedia of Complexity and Systems Science Series describes the current state of the analysis...  Read More >>

This book sheds new light on the interactions between the science of complexity and the science of systems.  Though...  Read More >>

This textbook presents the fundamentals of statistical thermodynamics and electronic structure theory and focuses...  Read More >>

This book illustrates advancements in the sophisticated tools and techniques for discovering and designing new antiviral...  Read More >>

The described methods are very general and can easily be implemented for calculating various properties and parameters...  Read More >>

Furthermore, the selectivity-determining mechanisms are analyzed with state-of-the-art DFT and other computational...  Read More >>

This book focuses on methods of how to understand the relationship between the structure and physical properties...  Read More >>

Chemists are used to the operational definition of symmetry, which crystallographers introduced long before the...  Read More >>