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Computational Chemistry: Reviews Of Current Trends, Vol. 9
Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs and chemicals. The reviews presented in this volume discuss the current advances in computational methodologies and their applications. The areas covered include materials science, nanotechnology, inorganic and biological systems. The major thrust of the book is to bring timely overviews of new findings and methods applied in the rapidly changing field of computational chemistry.
Molecular Devices and Machines
The miniaturization of bulky devices and machines is a process that confronts us on a daily basis. However, nanoscale machines with varied and novel characteristics may also result from the enlargement of extremely small building blocks, namely individual molecules. This bottom-up approach to nanotechnology is already being pursued in information technology, with many other branches about to follow. - Written by a team of experienced authors headed by Vincenzo Balzani, one of the pioneers in the development of molecular machines - Covers such diverse aspects as sensors, memory components, solar energy conversion, biomolecules as molecular machines, and much more - Presented in a lucid style and didactically structured, with both the expert and the newcomer in mind - Includes a glossary of terms and numerous references to the recent literature Be among the first to explore the fascinating possibilities of this future-oriented technology! A must-have for every chemist and materials scientist with an interest in nanotechnology.
Molecular Electronics
This book presents an in-depth discussion on molecular electronics in an easy-to-understand manner, aiming at chemists, computer scientists, surface scientists, physicists, and applied mathematicians. Lighter overviews are provided for the science-minded layperson and the high tech entrepreneur in this nanoscale science. The author has included a detailed synthetic chemistry treasure chest, protocols of self-assembling routes for bottom-up fabrication atop silicon platforms, representative current-voltage and memory readouts from molecular devices, and overviews of present architectural and mathematical approaches to programming molecular computing machines. The investment and commercial insertion landscape is painted along with a ?Who's Who? in the molecular electronics business space. Advice and forewarnings are provided in a practical yet witty manner for the aspiring academic corporate founder and the business CEO wannabe seeking to establish a high tech company while wading through the idiosyncratic morass of university personalities and university-owned intellectual property.
Scanning Probe Microscopy
This volume will be devoted to the technical aspects of electrical and electromechanical SPM probes and SPM imaging on the limits of resolution, thus providing technical introduction into the field. This volume will also address the fundamental physical phenomena underpinning the imaging mechanism of SPMs.
Practical Aspects of Computational Chemistry I
Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder s...
Theory and Experiment in Electrocatalysis
Topics in Number 50 include: " Investigation of alloy cathode Electrocatalysts " A model Hamiltonian that incorporates the solvent effect to gas-phase density functional theory (DFT) calculations " DFT-based theoretical analysis of ORR mechanisms " Structure of the polymer electrolyte membranes (PEM) " ORR investigated through a DFT-Green function analysis of small clusters " Electrocatalytic oxidation and hydrogenation of chemisorbed aromatic compounds on palladium Electrodes " New models that connect the continuum descriptions with atomistic Monte Carlo simulations " ORR reaction in acid revisited through DFT studies that address the complexity of Pt-based alloys in electrocatalytic proces...
Nanoscale Interface for Organic Electronics
This book treats the important issues of interface control in organic devices in a wide range of applications that cover from electronics, displays, and sensors to biorelated devices. This book is composed of three parts: Part 1, Nanoscale interface; Part 2, Molecular electronics; Part 3, Polymer electronics.
Structure and Properties of Atomic Nanoclusters
Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to the small size of these pieces of matter, the properties of atomic clusters in general are different from those of the corresponding material in the macroscopic bulk phase. This monograph presents the main developments of atomic clusters and the current status of the field. The book treats different types of clusters with very different properties: clusters in which the atoms or molecules are tied by weak van der Waals interactions, metallic clusters, clusters of ionic materials, and network clusters made of typical covalent elements. It includes methods of experimental cluster synthesis as well as the...
Psychotic Continuum
One of the most important questions of our previous common volumes about affective, schizoaffective, and schizophrenic disorders was the question of what connects and what separates psychotic disorders (Marneros and Tsuang, Schizo affective Psychoses, Springer-Verlag, 1986; Marneros and Tsuang Affective and Schizoaffective Disorders, Springer-Verlag, 1990; Marneros, Andreasen, and Tsuang, Negative and Positive Schizophrenia, Springer-Verlag 1993). The boundaries between various psychotic disorders are not always clearly defined. Some groups of psychotic disorders, such as schizoaffective disorders and all the other "atypical" psychoses, occupy a position between "typical" mental disorders, s...
