Gabriel Merino – författare

Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications reviews the latest computational tools and approaches available for accurately assessing the properties of a cluster, while also highlighting how such clusters can be adapted and utilized for the development of novel materials and applications. Sections provide an introduction to the computational methods used to obtain global minima for clusters and effectively analyze bonds, outline experimental approaches to produce clusters, discuss specific applications, and explore cluster reactivity and usage across a number of fields.Drawing on the knowledge of its expert editors and contributors, this book provides a detailed guide to ascertaining the stability, bonding and properties of atomic clusters. Atomic clusters, which exhibit unusual properties, offer huge potential as building blocks for new materials and novel applications, but understanding their properties, stability and bonding is essential in order to accurately understand, characterize and manipulate them for further use. Searching for the most stable geometry of a given cluster is difficult and becomes even more so for clusters of medium and large sizes, where the number of possible isomers sharply increase, hence this book provides a unique and comprehensive approach to the topic and available techniques and applications. Introduces readers to the vast structural and bonding diversity that clusters show and reflects on their potential for novel application and material development Highlights the latest computational methods and theoretical tools available for identification of the most stable isomers and accurate analysis of bonding in the clusters Focuses on clusters which violate the rules established in traditional chemistry and exhibit unusual structure, bonding and reactivity

Aromaticity and Antiaromaticity A comprehensive review of the science of aromaticity, as well as its evolution, from benzene to atomic clusters In Aromaticity and Antiaromaticity: Concepts and Applications, a team of accomplished chemists delivers a comprehensive exploration of the evolution and critical aspects of aromaticity. The book examines the new global criteria used to evaluate aromaticity, including the Nucleus Independent Chemical Shift (NICS) index and the electronic indices based on electronic properties. Additional discussions of inorganic aromatic compounds developed in this century, which give rise to new concepts like multifold aromaticity, are included. Three-dimensional aromaticity found in fullerenes and nanotubes, Möbius aromaticity present in some annulenes, and excited state aromaticity are explored as well. This volume explores the geometrical, electronic, magnetic, and thermodynamic characteristics of aromatic and antiaromatic compounds and their reactivity properties. It also provides: A thorough historical overview of aromaticity, as well as simple electronic and structural modelsComprehensive explorations of organic and inorganic aromatic compounds, concepts of stability and reactivity, and geometric, energetic, magnetic, and electronic criteria of descriptors of aromaticityPractical discussions of heteroaromaticity, as well as Möbius aromaticity and excited state aromaticityIn-depth examinations of sigma, pi, delta, and phi aromaticityPerfect for graduate students, researchers, and academics interested in aromaticity, organometallic chemistry, and computational chemistry, Aromaticity and Antiaromaticity: Concepts and Applications will also earn a place in the libraries of professionals and researchers working in organic, inorganic, and physical chemistry.