Solvation Effects on Molecules and Biomolecules PDF Download
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Author: Sylvio Canuto
Publisher: Springer Science & Business Media
ISBN: 1402082703
Category : Science
Languages : en
Pages : 536
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Book Description
This volume is an interdisciplinary treatise on the theoretical approach to solvation problems. It describes the essential details of the theoretical methods and places them into the context of modern applications, and hence is of broad interest to theoreticians and experimentalists. The assembly of these modern methods and applications into one volume is a unique contribution to date and gives a broad and ample description of the field in its present stage of development.
Author: Sylvio Canuto
Publisher: Springer Science & Business Media
ISBN: 1402082703
Category : Science
Languages : en
Pages : 536
Get Book Here
Book Description
This volume is an interdisciplinary treatise on the theoretical approach to solvation problems. It describes the essential details of the theoretical methods and places them into the context of modern applications, and hence is of broad interest to theoreticians and experimentalists. The assembly of these modern methods and applications into one volume is a unique contribution to date and gives a broad and ample description of the field in its present stage of development.
Author: Mikkel Bregnhøj
Publisher: Springer
ISBN: 3030031837
Category : Science
Languages : en
Pages : 162
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Book Description
This book presents the fundamentals and the state of the art of the photophysics of molecular oxygen. The author examines optical transitions between the lowest-lying electronic states in molecular oxygen and how these transitions respond to perturbation, either from an organic molecule or from the plasmon field of a metal nanoparticle. We live on a planet filled with light and oxygen. The interaction between these two components forms the basis of excited state chemistry spanning the fields of synthetic organic chemistry, materials chemistry, molecular biology, and photodynamic treatment of cancer. Still, the fundamental ways in which oxygen is affected by light is an active subject of research and is continually being developed and rationalized. In this book, readers will learn that singlet oxygen, the excited state of oxygen that exhibits unique chemical reactivity, can be selectively made via direct optical excitation of oxygen in a sensitizer-free system. Readers will also discover that this approach can perturb living cells differently depending on the singlet oxygen “dose”.
Author: Zaheer Ul-Haq
Publisher: Elsevier
ISBN: 1608058646
Category : Science
Languages : en
Pages : 364
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Book Description
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
Author: Qiang Cui
Publisher: CRC Press
ISBN: 9814613932
Category : Science
Languages : en
Pages : 590
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Book Description
As computational hardware continues to develop at a rapid pace, quantitative computations are playing an increasingly essential role in the study of biomolecular systems. One of the most important challenges that the field faces is to develop the next generation of computational models that strike the proper balance of computational efficiency and
Author: Manuel F. Ruiz-Lopez
Publisher: Springer
ISBN: 3662492210
Category : Science
Languages : en
Pages : 229
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Book Description
This volume collects research findings presented at the 9th Edition of the Electronic Structure: Principles and Applications (ESPA-2014) International Conference, held in Badajoz, Spain, on July 2–4, 2014. The contributions cover research work on theory, methods and foundations, materials science, structure and chemical reactivity as well as environmental effects and modelling. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.
Author:
Publisher: Academic Press
ISBN: 0323991890
Category : Science
Languages : en
Pages : 408
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Book Description
Jack Sabin, Scientist and Friend, Volume 85 in the Advances in Quantum Chemistry series, highlights new advances in the field, with chapters in this new release including: Elastic scattering of electrons and positrons from alkali atoms, Dissipative dynamics in many-atom systems, Shape sensitive Raman scattering from Nano-particles, Experience in E-learning and Artificial Intelligence, Structure and Correlation of Charges in a Harmonic Trap, Simulation of Molecular Spectroscopy in Binary Solvents, Approach for Orbital and Total Mean Excitation Energies of Atoms, and A New Generation of Quasiparticle Self-Energies. Additional sections cover: The stopping power of relativistic targets, Density functional methods for extended helical systems, Inspecting nlm-distributions due to charge exchange collisions of bare ions with hydrogen, Long-lived molecular dications: a selected probe for double ionization, and much more. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in Advances in Quantum Chemistry serials - Updated release includes the latest information on Jack Sabin, Scientist and Friend
Author: Anouk M. Rijs
Publisher: Springer
ISBN: 3319192043
Category : Science
Languages : en
Pages : 409
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Book Description
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Author: Toshio Yamaguchi
Publisher: Royal Society of Chemistry
ISBN: 1839169613
Category : Science
Languages : en
Pages : 318
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Book Description
Based on a translated Japanese title published in 2012, this book provides fundamental aspects of experimental and computational methods, the properties and structure of solvents, ion solvation and equilibria and reactions of metal complexes in solution. It includes state-of-the-art details on metal complexes in newly developing sustainable liquids and applications in real life. Appealing to researchers working in coordination chemistry, including students and industrialists, the text uses exercises, tables and figures to help the reader with their understanding of the topic.
Author: Jean-Louis Rivail
Publisher: Springer
ISBN: 3319216260
Category : Science
Languages : en
Pages : 524
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Book Description
This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems. Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.
Author:
Publisher: Academic Press
ISBN: 0123808995
Category : Science
Languages : en
Pages : 433
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Book Description
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. - Publishes articles, invited reviews and proceedings of major international conferences and workshops - Written by leading international researchers in quantum and theoretical chemistry - Highlights important interdisciplinary developments
