Spectroscopy Dynamics And Molecular Theory Of Carbon Plasmas And Vapors
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Spectroscopy, Dynamics And Molecular Theory Of Carbon Plasmas And Vapors: Advances In The Understanding Of The Most Complex High-temperature Elemental System
This book is a stop-gap contribution to the science and technology of carbon plasmas and carbon vapors. It strives to cover two strongly related fields: the molecular quantum theory of carbon plasmas and carbon nanostructures; and the molecular and atomic spectroscopy of such plasmas and vapors. These two fields of research are strongly intertwined and thus reinforce one another.Even though the use of carbon nanostructures is increasing by the day and their practical uses are emerging, there is no modern review on carbon plasmas, especially from molecular theoretical and spectroscopic viewpoints. The importance of the present book is therefore great from both educational and practical aspects. This review might be the first step towards bringing such textbooks into existence for university education. Similarly, for applied and engineering works in carbon nanostructures, the book provides a theoretical salient point for technologists in the field.
Spectroscopy, Dynamics and Molecular Theory of Carbon Plasmas and Vapors
Ch. 1. Spectroscopy of carbon nanotube production processes / B.A. Cruden -- ch. 2. Spectroscopic studies on laser-produced carbon vapor / K. Sasaki -- ch. 3. Kinetic and diagnostic studies of carbon containing plasmas and vapors using laser absorption techniques / J. Ropcke, A. Rousseau and P.B. Davies -- ch. 4. Spectroscopy of carbon containing diatomic molecules / J.O. Hornkohl, L. Nemes and C. Parigger -- ch. 5. Optical emission spectroscopy of C[symbol] and C[symbol] molecules in laser ablation carbon plasma / N.A. Savastenko and N.V. Tarasenko -- ch. 6. Intra-cavity laser spectroscopy of carbon clusters / S. Raikov and L. Boufendi -- ch. 7. Dynamics of laser-ablated carbon plasma for thin film deposition : spectroscopic and imaging approach / R.K. Thareja and A.K. Sharma -- ch. 8. Laser spectroscopy of transient carbon species in the context of soot formation / V. Nevrly [und weitere] -- ch. 9. Developing new production and observation methods for various sized carbon nanomaterials from clusters to nanotubes / T. Sugai -- ch. 10. Potential model for molecular dynamics of carbon / A.M. Ito and H. Nakamura -- ch. 11. Electronic and molecular structures of small- and medium-sized carbon clusters / V. Parasuk -- ch. 12. Vibrational spectroscopy of linear carbon chains / C.-P. Chou [und weitere] -- ch. 13. Dynamics simulations of fullerene and SWCNT formation / S. Irle [und weitere] -- ch. 14. Mechanisms of carbon gasification reactions using electronic structure methods / J.F. Espinal, T.N. Truong and F. Mondragon
Practical Aspects of Computational Chemistry II
Author: Jerzy Leszczynski
language: en
Publisher: Springer Science & Business Media
Release Date: 2012-07-09
Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends gathers the discussion of advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to success of which all authors contributed. Starting with the recent development of modeling of solvation effect using the Polarizable Continuum Model (PCM) at the Coupled-Cluster level and the effects of extreme pressure on the molecular properties within the PCM framework, this volume focuses on the association/dissociation of ion pairs in binary solvent mixtures, application of graph theory to determine the all possible structures and temperature-dependent distribution of water cluster, generalized-ensemble algorithms for the complex molecular simulation, QM/MD based investigation of formation of different nanostructures under nonequilibrium conditions, quantum mechanical study of chemical reactivity of carbon nanotube, covalent functionalization of single walled-carbon nanotube, designing of functional materials, importance of long-range dispersion interaction to study nanomaterials, recent advances in QSPR/QSAR analysis of nitrocompounds, prediction of physico-chemical properties of energetic materials, electronic structure and properties of 3d transition metal dimers, the s-bond activation reactions by transition metal complexes, theoretical modeling of environmental mercury depletion reaction, organolithium chemistry and computational modeling of low-energy electron induced DNA damage. Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problems of chemical and physical importance. This book provides valuable information to undergraduate, graduate, and PhD students as well as to established researchers. Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problems of chemical and physical importance. This book provides valuable information to undergraduate, graduate, and PhD students as well as to established researchers.