Physical Sciences and Mathematics Commons^™

Analysis Of Chemical Bonding In Clusters By Means Of The Adaptive Natural Density Partitioning, Dmitry Yu Zubarev

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Models of chemical bonding are essential for contemporary chemistry. Even the explosive development of the computational resources including, both hardware and software, cannot eliminate necessity of compact, intuitive, and efficient methods of representing chemically relevant information. The Lewis model of chemical bonding, which was proposed eleven years before the formulation of quantum theory and preserves its pivotal role in chemical education and research for more than ninety years, is a vivid example of such a tool. As chemistry shifts to the nanoscale, it is becoming obvious that a certain shift of the paradigms of chemical bonding is inescapable. For example, …