Download Full eBooks in PDF
Trends And Perspectives In Modern Computational Science Book in PDF, ePub and Kindle version is available to download in english. Read online anytime anywhere directly from your device. Click on the download button below to get a free pdf file of Trends And Perspectives In Modern Computational Science book. This book definitely worth reading, it is an incredibly well-written.
Author : Anonim
Publisher : Unknown
Page : 591 pages
File Size : 43,5 Mb
Release : 2006
Category : Computer science
ISBN : 0429087349
Author : George Maroulis,Theodore Simos
Publisher : CRC Press
Page : 605 pages
File Size : 43,8 Mb
Release : 2006-10-27
Category : Mathematics
ISBN : 9789004155411
This volume contains a collection of the lectures of the invited speakers and symposium organizers presented at the International Conference of Computational methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. The content of the papers bears upon new developments of Computational Science pertinent to Physics, Chemistry, Biology, Medicine, Mathematics and Engineering. Molecular Science is a privileged ground for the application and evaluation of new mathematical tools and computational methods. In recent years, novelty and progress with greatest conceivable speed is common experience. This flavor of research findings carrying many consequences for distant fields is easily evidenced in the lectures collected in this volume.
Author : Yukihiro Ozaki,Marek Januz Wójcik,Jürgen Popp
Publisher : John Wiley & Sons
Page : 833 pages
File Size : 51,6 Mb
Release : 2019-04-26
Category : Technology & Engineering
ISBN : 9783527814602
Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.
Author : Boris I. Kharisov,Oxana Vasilievna Kharissova,Ubaldo Ortiz-Mendez
Publisher : CRC Press
Page : 867 pages
File Size : 48,9 Mb
Release : 2012-03-19
Category : Science
ISBN : 9781439853436
As nanotechnology has developed over the last two decades, some nanostructures, such as nanotubes, nanowires, and nanoparticles, have become very popular. However, recent research has led to the discovery of other, less-common nanoforms, which often serve as building blocks for more complex structures. In an effort to organize the field, the Handbook of Less-Common Nanostructures presents an informal classification based mainly on the less-common nanostructures. A small nanotechnological encyclopedia, this book: Describes a range of little-known nanostructures Offers a unifying vision of the synthesis of nanostructures and the generalization of rare nanoforms Includes a CD-ROM with color versions of more than 100 nanostructures Explores the fabrication of rare nanostructures, including modern physical, chemical, and biological synthesis techniques The Handbook of Less-Common Nanostructures discusses a classification system not directly related to the dimensionality and chemical composition of nanostructure-forming compounds or composite. Instead, it is based mainly on the less-common nanostructures. Possessing unusual shapes and high surface areas, these structures are potentially very useful for catalytic, medical, electronic, and many other applications.
Author : Fabian Mohr
Publisher : John Wiley & Sons
Page : 425 pages
File Size : 53,6 Mb
Release : 2009-04-20
Category : Science
ISBN : 9783527320868
Written by world-class authors, this most recent major book on the topic highlights new and current trends as well as future directions. It is comprehensive in its scope, covering all aspects of gold chemistry -- from homogeneous to heterogeneous catalysis, from supramolecular assemblies to sensors and medicinal applications. The result is an invaluable work for both organic and inorganic chemists working in universities and industry, as well as material scientists.
Author : Tantillo Dean J
Publisher : World Scientific
Page : 624 pages
File Size : 44,9 Mb
Release : 2018-03-07
Category : Science
ISBN : 9781786344106
This book provides state-of-the-art information on how studies in applied theoretical organic chemistry are conducted. It highlights the many approaches and tools available to those interested in using computational chemistry to predict and rationalize structures and reactivity of organic molecules. Chapters not only describe theoretical techniques in detail, but also describe recent applications and offer practical advice. Authored by many of the world leaders in the field of applied theoretical chemistry, this book is perfect for both practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research. Contents: Modeling Organic Reactions — General Approaches, Caveats, and Concerns (Stephanie R Hare, Brandi M Hudson and Dean J Tantillo)Overview of Computational Methods for Organic Chemists (Edyta M Greer and Kitae Kwon)Brief History of Applied Theoretical Organic Chemistry (Steven M Bachrach)Solvation (Carlos Silva Lopez and Olalla Nieto Faza)Conformational Searching for Complex, Flexible Molecules (Alexander C Brueckner, O Maduka Ogba, Kevin M Snyder, H Camille Richardson and Paul Ha-Yeon Cheong)NMR Prediction (Kelvin E Jackson and Robert S Paton)Energy Decomposition Analysis and Related Methods (Israel Fernández)Systems with Extensive Delocalization (L Zoppi and K K Baldridge)Modern Treatments of Aromaticity (Judy I-Chia Wu)Weak Intermolecular Interactions (Rajat Maji and Steven E Wheeler)Predicting Reaction Pathways from Reactants (Romain Ramozzi, W M C Sameera and Keiji Morokuma)Unusual Potential Energy Surfaces and Nonstatistical Dynamic Effects (Charles Doubleday)The Distortion/Interaction Model for Analysis of Activation Energies of Organic Reactions (K N Houk, Fang Liu, Yun-Fang Yang and Xin Hong)Spreadsheet-Based Computational Predictions of Isotope Effects (O Maduka Ogba, John D Thoburn and Daniel J O'Leary)Stereoelectronic Effects: Analysis by Computational and Theoretical Methods (Gabriel dos Passos Gomes and Igor Alabugin)pKa Prediction (Yijie Niu and Jeehiun K Lee)Issues Particular to Organometallic Reactions (Gang Lu, Huiling Shao, Humair Omer and Peng Liu)Computationally Modeling Nonadiabatic Dynamics and Surface Crossings in Organic Photoreactions (Arthur Winter)Challenges in Predicting Stereoselectivity (Elizabeth H Krenske) Readership: Practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research. Keywords: Organic Chemistry;Theoretical Chemistry;Stereoselectivity;NMR Prediction;pKa Prediction;Organic PhotoreactionsReview: Key Features: A particular strength is the mix of theoretical background, informative examples and practical advice providedChapters are authored by many of world leaders in the field of applied theoretical chemistry
Author : Yukihiro Ozaki,Marek Januz Wójcik,Jürgen Popp
Publisher : John Wiley & Sons
Page : 636 pages
File Size : 40,9 Mb
Release : 2019-09-03
Category : Technology & Engineering
ISBN : 9783527344611
Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.
Author : Benedetta Mennucci,Roberto Cammi
Publisher : John Wiley & Sons
Page : 636 pages
File Size : 42,5 Mb
Release : 2008-02-28
Category : Science
ISBN : 0470515228
This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Devoted to solvation models in which reviews of the theory, the computational implementation Solvation continuum models are treated using the different points of view from experts belonging to different research fields Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments Four-colour representation of the computational modeling throughout.
Author : Grzegorz Rozenberg,Arto Salomaa
Publisher : World Scientific
Page : 642 pages
File Size : 47,9 Mb
Release : 1993
Category : Computers
ISBN : 9810214626
The book is a very up-to-date collection of articles in theoretical computer science, written by leading authorities in the field. The topics range from algorithms and complexity to algebraic specifications, and from formal languages and language-theoretic modeling to computational geometry. The material is based on columns and articles that have appeared in the EATCS Bulletin during the past two to three years. Although very recent research is discussed, the largely informal style of writing makes the book accessible to readers with little or no previous knowledge of the topics.
Author : Serdar Celebi
Publisher : BoD – Books on Demand
Page : 160 pages
File Size : 44,5 Mb
Release : 2018-05-30
Category : Computers
ISBN : 9781789231922
Computational science and engineering (CSE) is a broad multidisciplinary and integrative area including a variety of applications in science, engineering, numerical methods, applied mathematics, and computer science disciplines. The book covers a collection of different types of applications and visions to various disciplinary key aspects, which comprises both problem-driven and methodology-driven approaches at the same time. These selected applications are: Computational and information technologies for numerical models and large unstructured data processing Evolution of matrix computations and new concepts in computing Inverse problems covering both classical and newer approaches Integro-differential scheme (IDS) that combines finite volume and finite difference methods Smart city wireless networks Signal processing methods
Author : Gheorghe P?un,Grzegorz Rozenberg,Arto Salomaa
Publisher : World Scientific
Page : 680 pages
File Size : 54,9 Mb
Release : 2004
Category : Computers
ISBN : 9812389660
contents: vol 1 : Algorithms; Computational Complexity; Distributed Computing; Natural Computing.
Author : George Maroulis,Theodore E. Simos
Publisher : American Inst. of Physics
Page : 704 pages
File Size : 41,6 Mb
Release : 2007-12-14
Category : Science
ISBN : 0735404771
All papers have been peer-reviewed. The aim of ICCMSE 2007 is to bring together computational scientists and engineers from several disciplines in order to share methods, methodologies and ideas. The potential readers of these proceedings are all the scientists with interest in the following fields: Computational Mathematics, Theoretical Physics, Computational Physics, Theoretical Chemistry, Computational Chemistry, Mathematical Chemistry, Computational Engineering, Computational Mechanics, Computational Biology and Medicine, Scientific Computation, High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Software Tools, Advanced Numerical Algorithms, Modeling and Simulation of Complex Systems, Web-based Simulation and Computing, Grid-based Simulation and Computing, Computational Grids, and Computer Science.
Author : Mario Barbatti,Antonio Carlos Borin,Susanne Ullrich
Publisher : Springer
Page : 280 pages
File Size : 50,9 Mb
Release : 2014-12-26
Category : Science
ISBN : 9783319132723
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 : Osvaldo Gervasi,Beniamino Murgante,Ana Maria A. C. Rocha,Chiara Garau,Francesco Scorza,Yeliz Karaca,Carmelo M. Torre
Publisher : Springer Nature
Page : 698 pages
File Size : 53,5 Mb
Release : 2023-06-28
Category : Computers
ISBN : 9783031371233
This nine-volume set LNCS 14104 – 14112 constitutes the refereed workshop proceedings of the 23rd International Conference on Computational Science and Its Applications, ICCSA 2023, held at Athens, Greece, during July 3–6, 2023. The 350 full papers and 29 short papers and 2 PHD showcase papers included in this volume were carefully reviewed and selected from a total of 876 submissions. These nine-volumes includes the proceedings of the following workshops: Advances in Artificial Intelligence Learning Technologies: Blended Learning, STEM, Computational Thinking and Coding (AAILT 2023); Advanced Processes of Mathematics and Computing Models in Complex Computational Systems (ACMC 2023); Artificial Intelligence supported Medical data examination (AIM 2023); Advanced and Innovative web Apps (AIWA 2023); Assessing Urban Sustainability (ASUS 2023); Advanced Data Science Techniques with applications in Industry and Environmental Sustainability (ATELIERS 2023); Advances in Web Based Learning (AWBL 2023); Blockchain and Distributed Ledgers: Technologies and Applications (BDLTA 2023); Bio and Neuro inspired Computing and Applications (BIONCA 2023); Choices and Actions for Human Scale Cities: Decision Support Systems (CAHSC-DSS 2023); and Computational and Applied Mathematics (CAM 2023).
Author : Boris Ildusovich Kharisov,Oxana Vasilievna Kharissova
Publisher : Springer
Page : 790 pages
File Size : 46,7 Mb
Release : 2019-01-02
Category : Technology & Engineering
ISBN : 9783030035051
This book provides a detailed description of metal-complex functionalized carbon allotrope forms, including classic (such as graphite), rare (such as M- or T-carbon), and nanoforms (such as carbon nanotubes, nanodiamonds, etc.). Filling a void in the nanotechnology literature, the book presents chapters generalizing the synthesis, structure, properties, and applications of all known carbon allotropes. Metal-complex composites of carbons are described, along with several examples of their preparation and characterization, soluble metal-complex carbon composites, cost-benefit data, metal complexes as precursors of carbon allotropes, and applications. A lab manual on the synthesis and characterization of carbon allotropes and their metal-complex composites is included. Provides a complete description of all carbon allotropes, both classic and rare, as well as carbon nanostructures and their metal-complex composites; Contains a laboratory manual of experiments on the synthesis and characterization of metal-complex carbon composites; Discusses applications in diverse fields, such as catalysis on supporting materials, water treatment, sensors, drug delivery, and devices.