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Author : Michael J. Frisch
Publisher :
ISBN 13 :
Total Pages : 290 pages
Book Rating : 4.0/5 ( download)
Download or read book Gaussian 94 User's Reference written by Michael J. Frisch and published by . This book was released on 1994 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 269 pages
Book Rating : 4.:/5 (688 download)
Download or read book Gaussian 94 User's Reference written by and published by . This book was released on 1996 with total page 269 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Jorge M. Seminario
Publisher : Elsevier
ISBN 13 : 0080540392
Total Pages : 863 pages
Book Rating : 4.0/5 (85 download)
Download or read book Recent Developments and Applications of Modern Density Functional Theory written by Jorge M. Seminario and published by Elsevier. This book was released on 1996-11-18 with total page 863 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and properties in many areas of science and technology. A technique based on purely first principles allowing large savings in time and money greatly benefits the specialist or designer of new materials.The range of areas where DFT is applied has expanded and continues to do so. Any area where a molecular system is the center of attention can be studied using DFT.The scope of the 22 chapters in this book amply testifies to this.
Author : A. G. Yagola
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110943263
Total Pages : 308 pages
Book Rating : 4.1/5 (19 download)
Download or read book Inverse Problems of Vibrational Spectroscopy written by A. G. Yagola and published by Walter de Gruyter GmbH & Co KG. This book was released on 2014-10-16 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Inverse and Ill-Posed Problems Series is a series of monographs publishing postgraduate level information on inverse and ill-posed problems for an international readership of professional scientists and researchers. The series aims to publish works which involve both theory and applications in, e.g., physics, medicine, geophysics, acoustics, electrodynamics, tomography, and ecology.
Author : Tamás Veszprémi
Publisher : Springer Science & Business Media
ISBN 13 : 1461541891
Total Pages : 381 pages
Book Rating : 4.4/5 (615 download)
Download or read book Quantum Chemistry written by Tamás Veszprémi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 381 pages. Available in PDF, EPUB and Kindle. Book excerpt: `Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book the authors have made a remarkable effort to provide a modern account of the field.' From the Foreword by Paul Mezey, University of Saskatchewan. Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II. The applications include: molecular structure; spectroscopy; thermodynamics; chemical reactions; solvent effects; and excited state chemistry. The importance of this field is underscored by the fact that the 1998 Nobel Prize in Chemistry was awarded for the development of Quantum Chemistry.
Author : Purusottam Jena
Publisher : World Scientific
ISBN 13 : 9814493600
Total Pages : 760 pages
Book Rating : 4.8/5 (144 download)
Download or read book Cluster And Nanostructure Interfaces - Proceedings Of The International Symposium written by Purusottam Jena and published by World Scientific. This book was released on 2000-08-21 with total page 760 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with the evolution of the properties of clusters, nanostructures and cluster-based materials, with emphasis on the role of the interface. These materials are characterized by reduced size, dimension and symmetry, and possess many novel properties that are not commonly seen in their bulk phases. The topics include synthesis, nucleation, growth, characterization, atomic and electronic structure, dynamics, ultra-fast spectroscopy, stability; electrical, magnetic, optical, thermodynamic and catalytic properties of clusters (free and supported); cluster materials (self-assembled, ligated and embedded); nanostructures (quantum dots, wells and corrals; nanotubes and wires; colloidal and biological materials) and nano-technology (electronic, magnetic and optical devices). In addition to presenting the current status of the field, the book discusses outstanding problems and future directions.
Author : Electrochemical Society. High Temperature Materials Division
Publisher : The Electrochemical Society
ISBN 13 : 9781566773195
Total Pages : 526 pages
Book Rating : 4.7/5 (731 download)
Download or read book Fundamental Gas-phase and Surface Chemistry of Vapor-phase Deposition II and Process Control, Diagnostics and Modeling in Semiconductor Manufacturing IV written by Electrochemical Society. High Temperature Materials Division and published by The Electrochemical Society. This book was released on 2001 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0470126175
Total Pages : 464 pages
Book Rating : 4.4/5 (71 download)
Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: THIS BOOK HAS SIX TUTORIALS AND REVIEWS WRITTEN BY INVITED EXPERTS. FIVE CHAPTERS TEACH TOPICS IN QUANTUM MECHANICS AND MOLECULAR SIMULATIONS. THE SIXTH CHAPTER EXPLAINS HOW PROGRAMS FOR CHEMICAL STRUCTURE DRAWING WORK. AN EDITORIAL DISCUSSES SOME OF THE MOST WELL-KNOWN PERSONAGES IN COMPUTATIONAL CHEMISTRY. FROM REVIEWS OF THE SERIES "Anyone who is doing or intends to do computational research on molecular structure and design should seriously consider purchasing this book for his or her personal library."-JOURNAL OF COMPUTATIONAL CHEMISTRY. "These reviews are becoming regarded as the standard reference among both specialists and novices in the expanding field of computational chemistry." -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING. "[This book is] written for newcomers learning about molecular modeling techniques as well as for seasoned professionals who need to acquire expertise in areas outside their own."-JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCE.
Author : C. Párkányi
Publisher : Elsevier
ISBN 13 : 0080542727
Total Pages : 637 pages
Book Rating : 4.0/5 (85 download)
Download or read book Theoretical Organic Chemistry written by C. Párkányi and published by Elsevier. This book was released on 1997-12-09 with total page 637 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily an experimental, empirical science. Throughout the twentieth century, the emphasis has been continually shifting to a more theoretical approach. Today, theoretical organic chemistry is a distinct area of research, with strong links to theoretical physical chemistry, quantum chemistry, computational chemistry, and physical organic chemistry.The objective in this volume has been to provide a cross-section of a number of interesting topics in theoretical organic chemistry, starting with a detailed account of the historical development of this discipline and including topics devoted to quantum chemistry, physical properties of organic compounds, their reactivity, their biological activity, and their excited-state properties.
Author : James B. Foresman
Publisher :
ISBN 13 :
Total Pages : 368 pages
Book Rating : 4.3/5 (91 download)
Download or read book Exploring Chemistry with Electronic Structure Methods written by James B. Foresman and published by . This book was released on 1996 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : E. Anderson
Publisher : SIAM
ISBN 13 : 9780898719604
Total Pages : 428 pages
Book Rating : 4.7/5 (196 download)
Download or read book LAPACK Users' Guide written by E. Anderson and published by SIAM. This book was released on 1999-01-01 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: LAPACK is a library of numerical linear algebra subroutines designed for high performance on workstations, vector computers, and shared memory multiprocessors. Release 3.0 of LAPACK introduces new routines and extends the functionality of existing routines.
Author : H. Magdi Selim
Publisher : CRC Press
ISBN 13 : 0203009606
Total Pages : 386 pages
Book Rating : 4.2/5 (3 download)
Download or read book Geochemical and Hydrological Reactivity of Heavy Metals in Soils written by H. Magdi Selim and published by CRC Press. This book was released on 2003-03-26 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: The hydrological and geochemical interactions between clay minerals and organic matter in soils directly influence the reaction, behavior, and mobility of heavy metals in soils. Geochemical and Hydrological Reactivity of Heavy Metals in Soils is one of few books that comprehensively illustrates this cause-and-effect relationship. It highlights anal
Author :
Publisher :
ISBN 13 :
Total Pages : 754 pages
Book Rating : 4.M/5 ( download)
Download or read book Environmental Health Perspectives written by and published by . This book was released on 1993 with total page 754 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 2230 pages
Book Rating : 4.3/5 (91 download)
Download or read book The Cumulative Book Index written by and published by . This book was released on 1996 with total page 2230 pages. Available in PDF, EPUB and Kindle. Book excerpt: A world list of books in the English language.
Author :
Publisher :
ISBN 13 :
Total Pages : 186 pages
Book Rating : 4.3/5 ( download)
Download or read book Reviews in Environmental Health, 1996 written by and published by . This book was released on 1996 with total page 186 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Chérif F. Matta
Publisher : John Wiley & Sons
ISBN 13 : 352762922X
Total Pages : 978 pages
Book Rating : 4.5/5 (276 download)
Download or read book Quantum Biochemistry written by Chérif F. Matta and published by John Wiley & Sons. This book was released on 2010-01-14 with total page 978 pages. Available in PDF, EPUB and Kindle. Book excerpt: Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds. The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Chemistry 1985).
Author : Jose M.L.M. Palma
Publisher : Springer
ISBN 13 : 3540485163
Total Pages : 721 pages
Book Rating : 4.5/5 (44 download)
Download or read book Vector and Parallel Processing - VECPAR'98 written by Jose M.L.M. Palma and published by Springer. This book was released on 2006-10-11 with total page 721 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the thoroughly refereed post-conference proceedings of the Third International Conference on Vector and Parallel Processing, VECPAR'98, held in Porto, Portugal, in June 1998. The 41 revised full papers presented were carefully selected during two rounds of reviewing and revision. Also included are six invited papers and introductory chapter surveys. The papers are organized in sections on eigenvalue problems and solutions of linear systems; computational fluid dynamics, structural analysis, and mesh partitioning; computing in education; computer organization, programming and benchmarking; image analysis and synthesis; parallel database servers; and nonlinear problems.
