Search Results for: Dft Study Of Geometry And Energetics Of Transition Metal Systems

This dissertation focuses on computational study of the geometry and energetics small molecules and nanoclusters involving transition metals (TM). These cluster

This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate

Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications provides an entry point for newcomers and a standard reference for researche

Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies

It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossove