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Author : John Henry Hall
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (769 download)
Download or read book Self-consistent Field and Localized Orbital Treatments of Polyatomic Molecules written by John Henry Hall and published by . This book was released on 1974 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book LOCALIZED SELF-CONSISTENT FIELD ORBITALS IN ATOMS AND MOLECULES. written by and published by . This book was released on 1965 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Oktay Sinanoğlu
Publisher :
ISBN 13 :
Total Pages : 268 pages
Book Rating : 4.3/5 (91 download)
Download or read book Orbitals written by Oktay Sinanoğlu and published by . This book was released on 1965 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Harvard University. Graduate School of Arts and Sciences
Publisher :
ISBN 13 :
Total Pages : 210 pages
Book Rating : 4.:/5 (32 download)
Download or read book Doctors of Philosophy, Harvard University and Radcliffe College, with Titles of Their Theses written by Harvard University. Graduate School of Arts and Sciences and published by . This book was released on 1970 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Tamar Schlick
Publisher : Springer Science & Business Media
ISBN 13 : 3642560806
Total Pages : 504 pages
Book Rating : 4.6/5 (425 download)
Download or read book Computational Methods for Macromolecules: Challenges and Applications written by Tamar Schlick and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This special volume collects invited articles by participants of the Third International Workshop on Methods for Macromolecular Modeling, Courant Institute of Mathematical Sciences, Oct. 12-14, 2000. Leading developers of methods for biomolecular simulations review advances in Monte Carlo and molecular dynamics methods, free energy computational methods, fast electrostatics (particle-mesh Ewald and fast multipole methods), mathematics, and molecular neurobiology, nucleic acid simulations, enzyme reactions, and other essential applications in biomolecular simulations. A Perspectives article by the editors assesses the directions and impact of macromolecular modeling research, including genomics and proteomics. These reviews and original papers by applied mathematicians, theoretical chemists, biomedical researchers, and physicists are of interest to interdisciplinary research students, developers and users of biomolecular methods in academia and industry.
Author : David Adams Dixon
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (769 download)
Download or read book Reactions of Van Der Waal's Molecules. Localized Molecular Orbitals for Polyatomic Molecules written by David Adams Dixon and published by . This book was released on 1975 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Jean-Pierre Launay
Publisher : Oxford University Press
ISBN 13 : 0198814593
Total Pages : 605 pages
Book Rating : 4.1/5 (988 download)
Download or read book Electrons in Molecules written by Jean-Pierre Launay and published by Oxford University Press. This book was released on 2018 with total page 605 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of this book is to provide the reader with essential keys to a unified understanding of the rapidly expanding field of molecular materials and devices: electronic structures and bonding, magnetic, electrical and photo-physical properties, and the mastering of electrons in molecular electronics.
Author : Leonid Gorb
Publisher : Springer
ISBN 13 : 9401792577
Total Pages : 556 pages
Book Rating : 4.4/5 (17 download)
Download or read book Application of Computational Techniques in Pharmacy and Medicine written by Leonid Gorb and published by Springer. This book was released on 2014-11-07 with total page 556 pages. Available in PDF, EPUB and Kindle. Book excerpt: The proposed volume provides both fundamental and detailed information about the computational and computational-experimental studies which improve our knowledge of how leaving matter functions, the different properties of drugs (including the calculation and the design of new ones), and the creation of completely new ways of treating numerical diseases. Whenever it is possible, the interplay between theory and experiment is provided. The book features computational techniques such as quantum-chemical and molecular dynamic approaches and quantitative structure–activity relationships. The initial chapters describe the state-of-the art research on the computational investigations in molecular biology, molecular pharmacy, and molecular medicine performed with the use of pure quantum-chemical techniques. The central part of the book illustrates the status of computational techniques that utilize hybrid, so called QM/MM approximations as well as the results of the QSAR studies which now are the most popular in predicting drugs’ efficiency. The last chapters describe combined computational and experimental investigations.
Author :
Publisher :
ISBN 13 :
Total Pages : 1896 pages
Book Rating : 4.:/5 (319 download)
Download or read book Government Reports Index written by and published by . This book was released on 1971 with total page 1896 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 1910 pages
Book Rating : 4.M/5 ( download)
Download or read book Government Reports Announcements written by and published by . This book was released on 1971 with total page 1910 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 :
Publisher :
ISBN 13 :
Total Pages : 922 pages
Book Rating : 4.:/5 (319 download)
Download or read book Bibliography of Scientific and Industrial Reports written by and published by . This book was released on 1970 with total page 922 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher : Academic Press
ISBN 13 : 008058246X
Total Pages : 420 pages
Book Rating : 4.0/5 (85 download)
Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1990-10-25 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry
Author : R. A. W. Johnstone
Publisher : Royal Society of Chemistry
ISBN 13 : 0851862780
Total Pages : 416 pages
Book Rating : 4.8/5 (518 download)
Download or read book Mass Spectrometry written by R. A. W. Johnstone and published by Royal Society of Chemistry. This book was released on 1975 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Author :
Publisher :
ISBN 13 :
Total Pages : 1028 pages
Book Rating : 4.:/5 (31 download)
Download or read book National Union Catalog written by and published by . This book was released on 1978 with total page 1028 pages. Available in PDF, EPUB and Kindle. Book excerpt: Includes entries for maps and atlases.
Author : Donald T. Hawkins
Publisher : Springer
ISBN 13 :
Total Pages : 584 pages
Book Rating : 4.3/5 (91 download)
Download or read book Physical and Chemical Properties of Water written by Donald T. Hawkins and published by Springer. This book was released on 1976-04 with total page 584 pages. Available in PDF, EPUB and Kindle. Book excerpt: Water is basic to terrestrial life, and its distribution has controlled the growth and spread of human civilization. The importance of water to modern industrial processes, urban planning, and agricultural development is hard to overestimate. With these compelling motivations, it is natural that more tech nical and scientific study should have been devoted to this one substance than to any other. Research on water and its solutions has exhibited a marked expansion during the last decade. In sig nificant degree, this has resulted from the availability of new experimental tools and techniques, and of dramatic advances in computing science. This combination, in skilled hands, promises eventually to explain the unusual properties of water and aqueous solutions in unequivocal molecular terms. like wise, one now has reasonable hope that the active role that water plays in biochemical processes will be revealed and explained quantitatively at the molecular level. Owing to the widespread scholarly interest in aqueous science, it is clear that guides to the overwhelm ing literature on the subject are valuable. They serve ideally to indicate what is known and what is not, which areas harbor controversies, and what types of research attacks seem most fruitful (in answering more questions than they raise!). Whatever time and resources need to be spent in preparing compre hensive bibliographies should be quickly offset in the total scientific community by the efficiencies generated.
Author : V.P. Gupta
Publisher : Academic Press
ISBN 13 : 0128035013
Total Pages : 480 pages
Book Rating : 4.1/5 (28 download)
Download or read book Principles and Applications of Quantum Chemistry written by V.P. Gupta and published by Academic Press. This book was released on 2015-10-15 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. - Simplified mathematical content and derivations for reader understanding - Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) - Accessible level for students and researchers interested in the use of quantum chemistry tools
