Encyclopedia of computational chemistry. 1. A - D - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Encyclopedia of computational chemistry. 1. A - D write by . This book was released on 1998. Encyclopedia of computational chemistry. 1. A - D available in PDF, EPUB and Kindle.
Encyclopedia of Computational Chemistry
Encyclopedia of Computational Chemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Encyclopedia of Computational Chemistry write by . This book was released on 1998. Encyclopedia of Computational Chemistry available in PDF, EPUB and Kindle.
Frontiers in Computational Chemistry: Volume 1
Frontiers in Computational Chemistry: Volume 1 - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Frontiers in Computational Chemistry: Volume 1 write by Zaheer Ul-Haq. This book was released on 2015-12-14. Frontiers in Computational Chemistry: Volume 1 available in PDF, EPUB and Kindle. Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 1, the leading researchers in the field have collected eight different perspectives in the application of computational methods towards drug design to provide an up-to-date rendering of the current field. This volume covers a variety of topics from G protein-coupled receptors, to the use of cheminformatics and bioinformatics, computational tools such as Molecular Mechanics Poisson-Boltzmann Surface Area, protein-protein interactions, the use of computational methods on large biological data sets, various computational methods used to identify pharmaceutically relevant targets, and more. Brings together a wide range of research into a single collection to help researchers keep up with new methods Uniquely focuses on computational chemistry approaches that can accelerate drug design Makes a solid connection between experiment and computation and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics, with particular focus on the integration of computational methods with experimental data
Energetic Materials
Energetic Materials - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Energetic Materials write by . This book was released on 2003-11-25. Energetic Materials available in PDF, EPUB and Kindle. This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on decomposition, crystal and molecular properties. The contents and format reflect the fact that theory, experiment and computation are closely linked in this field. Since chemical decomposition is of fundamental importance in energetic performance, this volume begins with a survey of the decomposition processes of a variety of energetic compounds. This is followed by detailed studies of certain compounds and specific mechanisms, such as nitro/aci-nitro tautomerism. Chapter 6 covers the transition from decomposition to crystal properties, with molecular dynamics being the primary analytical tool. The next several chapters deal with different aspects of the crystalline state, again moving from the general to particular. There is also a discussion of methods for computing gas, liquid and solid phase heats of formation. Finally, the last portion of this volume looks at the potential of high-nitrogen molecules as energetic systems; this has been of considerable interest in recent years.Overall, this volume illustrates the progress that has been made in the field of energetic materials and some of the areas of current activity. It also indicates the challenges involved in characterizing and understanding the properties and behaviour of these compounds. The work is a unique state-of-the-art treatment of the subject, written by pre-eminent researchers in the field. - Overall emphasis is on theory and computation, presented in the context of relevant experimental work- Presents a unique state-of-the-art treatment of the subject- Contributors are preeminent researchers in the field
Encyclopedia of Computational Chemistry and Biochemistry and Molecular Chemistry
Encyclopedia of Computational Chemistry and Biochemistry and Molecular Chemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Encyclopedia of Computational Chemistry and Biochemistry and Molecular Chemistry write by Lee Cerasale. This book was released on 2013-04. Encyclopedia of Computational Chemistry and Biochemistry and Molecular Chemistry available in PDF, EPUB and Kindle. Local and global approaches covers recent developments in optimization techniques for addressing several computational chemistry and biochemistry and biology problems. The topics covered in this textbook include advances in local and global optimization approaches for molecular dynamics and modeling, distance geometry, protein folding, molecular structure refinement, protein and drug design, and molecular and peptide docking.
