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Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subjec...
Fullerene, molekulare "Fu?balle" aus 60 oder mehr Kohlenstoffatomen, sind eine Substanzklasse mit vielversprechenden Zukunftsaussichten, beispielsweise als Halbleiter, als Basis pharmazeutischer Wirkstoffe oder Polymerwerkstoffe. Dieses Buch bietet Ihnen einen aktuellen Uberblick uber das dynamische Forschungsgebiet. Zur Sprache kommen modernste Themen wie Metallofullerene, Nanorohren und organisch funktionalisierte Fullerenverbindungen. (06/00)
Edited by a highly regarded scientist and with contributions from sixteen international research groups, spanning Asia and North America, Rare Earth Coordination Chemistry: Fundamentals and Applications provides the first one-stop reference resource for important accomplishments in the area of rare earth. Consisting of two parts, Fundamentals and Applications, readers are armed with the systematic basic aspects of rare earth coordination chemistry and presented with the latest developments in the applications of rare earths. The systematic introduction of basic knowledge, application technology and the latest developments in the field, makes this ideal for readers across both introductory and specialist levels.
A hands on reference guide for scientists working in the area of medicine, biology, chemistry, physics, materials science, sensor and biosensor, devices and nanotechnology. The first volume compiles topics from leading authors on medicinal and bio-related applications while the second volume covers topics ranging from materials and fundamental applications. In-depth and comprehensive coverage of topics combined with the perspectives for future research by the contributing authors. An invaluable reference source essential for both beginning and advanced researchers in the field.
Nanocarbon chemistry and physics is a fast-developing, broad research area – the Nobel prizes in 1996 and 2010 awarded to two key discoveries in the field, and several other nanocarbon achievements of comparable importance. Owing to this rapid growth, the nanocarbon landscape fundamentally changes every few years, creating a need to survey the field on a regular basis to update the books that have become incomplete or even obsolete. As such, this book focuses on fullerenes and metallofullerenes and also on the related areas of nanotubes and graphenes. All the covered research topics provide important fundamental knowledge for the natural sciences, but also for applications in molecular ele...
This thesis describes improvements to and control of the electrical conductance in single-molecule junctions (SMJs), which have potential applications in molecular electronics, with a focus on the bonding between the metal and molecule. In order to improve the electrical conductance, the π orbital of the molecule is directly bonded to the metal orbital, because anchoring groups, which were typically used in other studies to bind molecule with metal electrodes, became resistive spacers. Using this direct π-binding, the author has successfully demonstrated highly conductive SMJs involving benzene, endohedral metallofullerene Ce@C82, and nitrogen. Subsequently, the author investigated control...
Endohedral fullerenes represent a novel family of carbon nanostructures, which are characterized by a robust fullerene cage with atoms, ions, or clusters trapped in its interior. Since the first separation of the endohedral metallofullerene La@C82 in 1991, a large variety of endohedral structures have been isolated and their endohedral nature has been proved by experimental studies. Within the past two decades, the world of endohedral fullerenes was significantly enlarged by the clusterfullerenes and the new carbon cages including non-IPR (IPR=isolated pentagon rule) structures. Resulting from the charge transfer from the encaged species to the fullerene cage, endohedral fullerenes hold a lo...
This volume on Clusters brings together contributions from a large number of specialists. A central element for all contributions is the use of advanced computational methodologies and their application to various aspects of structure, reactivity and properties of clusters. The size of clusters varies from a few atoms to nanoparticles.
Written by the most prominent experts and pioneers in the field, this ready reference combines fundamental research, recent breakthroughs and real-life applications in one well-organized treatise. As such, both newcomers and established researchers will find here a wide range of current methods for producing and characterizing carbon nanotubes using imaging as well as spectroscopic techniques. One major part of this thorough overview is devoted to the controlled chemical functionalization of carbon nanotubes, covering intriguing applications in photovoltaics, organic electronics and materials design. The latest research on novel carbon-derived structures, such as graphene, nanoonions and carbon pea pods, round off the book.