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Chemistry

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

2014

Structures

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Structure And Multi-Center Bonding: From Atomic Clusters To Solid Phase Materials, Timur R. Galeev May 2014

Structure And Multi-Center Bonding: From Atomic Clusters To Solid Phase Materials, Timur R. Galeev

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

The work presented in this dissertation has been focused on structure, stability, and chemical bonding of atomic clusters and solid-state compounds. The common thread was development of theoretical models and methods capable of interpreting bonding and hence, structures of these species. A major part of this work presents joint experimental and theoretical studies of a large series of doped boron clusters. The dissertation introduces a new theoretical tool for interpretation of bonding of solid phase materials in chemically intuitive terms of localized and multi-center bonds. Understanding how interactions between atoms in sub-nano clusters and solid-state compounds determine their structures, physical …