Considers various aspects of modelling of molecular properties, including an extensive historical overview of theoretical principles and numerical simulations in modelling of molecular properties and related issues. The book includes definitions and explanations related to elements of quantum mechanics.

Modelling of Molecular Properties: Theoretical Principles and Numerical Simulations considers various aspects of Modelling of Molecular Properties including an extensive historical overview of Theoretical Principles and Numerical Simulations in modelling of Molecular properties and related issues. It includes definitions and explanations related to Elements of Quantum Mechanics in greater depths which is appropriate for both beginners level as well as experts. Provides the reader with insights into the development and modelling of its properties, so as to understand the principles and simulations.