Molecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materia

A comprehensive yet accessible exploration of quantum chemical methods for the determination of molecular properties of spectroscopic relevance Molecular proper

Molecular modeling is becoming an increasingly important part of chemical research and education as computers become faster and programs become easier to use. T

Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently bee

Molecular Modeling of the Sensitivities of Energetic Materials, Volume 22 introduces experimental aspects, explores the relationships between sensitivity, molec