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This volume contains peer-reviewed chapters and original research on chemistry and its broad range of applications in chemical engineering. Covering both theoretical and practical applications of modern chemistry, the book presents a different aspects of chemistry and chemical engineering. The book includes the most significant new research papers and other original contributions on the structure of single molecules and radicals, molecular assemblies, gases, liquids (including water and solutions), amorphous and crystalline solids, surfaces, films and nanoparticles (including inorganic, organic and organometallic compounds), molecular and polymeric materials, single crystals, and minerals. The aim of this multidisciplinary book is to promote communication and dialogue among researchers, scientists, engineers, and policymakers working in the areas of modern chemistry and chemical engineering and who deal with all structural aspects of modern chemistry and chemical engineering. The research provided here will be especially valuable to those interested in the principles of chemical bonding and matter organization, the impact of structural aspects on a chemical property or transformation, and the application of the newest physical methods in chemical structure research.
This volume contains peer-reviewed chapters and original research on chemistry and its broad range of applications in chemical engineering. Covering both theoretical and practical applications of modern chemistry, the book presents a different aspects of chemistry and chemical engineering. The book includes the most significant new research papers and other original contributions on the structure of single molecules and radicals, molecular assemblies, gases, liquids (including water and solutions), amorphous and crystalline solids, surfaces, films and nanoparticles (including inorganic, organic and organometallic compounds), molecular and polymeric materials, single crystals, and minerals. The aim of this multidisciplinary book is to promote communication and dialogue among researchers, scientists, engineers, and policymakers working in the areas of modern chemistry and chemical engineering and who deal with all structural aspects of modern chemistry and chemical engineering. The research provided here will be especially valuable to those interested in the principles of chemical bonding and matter organization, the impact of structural aspects on a chemical property or transformation, and the application of the newest physical methods in chemical structure research.
Quantum chemistry is a branch of theoretical chemistry, which applies quantum mechanics and quantum field theory to address problems in chemistry. This book presents quantum chemical calculations on nanolevel of chemical compounds, which are synthesised by Nobel prize winners. In addition, the generalised algorithm of nanotechnologies with a more effective chemical compound both for homogeneous and heterogeneous systems is offered.
The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations-the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.
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