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Author : Harel Weinstein
Publisher :
ISBN 13 :
Total Pages : 576 pages
Book Rating : 4.3/5 (91 download)
Download or read book Quantum Chemistry in Biomedical Sciences written by Harel Weinstein and published by . This book was released on 1981 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : National Research Council
Publisher : National Academies Press
ISBN 13 : 0309073421
Total Pages : 203 pages
Book Rating : 4.3/5 (9 download)
Download or read book Physics in a New Era written by National Research Council and published by National Academies Press. This book was released on 2001-07-15 with total page 203 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physics at the beginning of the twenty-first century has reached new levels of accomplishment and impact in a society and nation that are changing rapidly. Accomplishments have led us into the information age and fueled broad technological and economic development. The pace of discovery is quickening and stronger links with other fields such as the biological sciences are being developed. The intellectual reach has never been greater, and the questions being asked are more ambitious than ever before. Physics in a New Era is the final report of the NRC's six-volume decadal physics survey. The book reviews the frontiers of physics research, examines the role of physics in our society, and makes recommendations designed to strengthen physics and its ability to serve important needs such as national security, the economy, information technology, and education.
Author : S.R. Logan
Publisher : CRC Press
ISBN 13 : 9780203484067
Total Pages : 268 pages
Book Rating : 4.4/5 (84 download)
Download or read book Physical Chemistry for the Biomedical Sciences written by S.R. Logan and published by CRC Press. This book was released on 2003-09-02 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is an introductory text for students which will bring them up to speed ready for first-year university level physical chemistry. The text begins by looking at atoms and their structure, and goes on to study different phases of matter and relates them to forces acting between molecules. As the book progresses, it analyses both phase and chemical equilibria, energy and kinetics, and the final section is about reactive free radicals.
Author : Eudenilson L. Albuquerque
Publisher : Cambridge University Press
ISBN 13 : 1108803849
Total Pages : 435 pages
Book Rating : 4.1/5 (88 download)
Download or read book Quantum Chemistry Simulation of Biological Molecules written by Eudenilson L. Albuquerque and published by Cambridge University Press. This book was released on 2021-02-11 with total page 435 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nano-biotechnology crosses the boundaries between physics, biochemistry and bioengineering, and has profound implications for the biomedical engineering industry. This book describes the quantum chemical simulation of a wide variety of molecular systems, with detailed analysis of their quantum chemical properties, individual molecular configurations, and cutting-edge biomedical applications. Topics covered include the basic properties of quantum chemistry and its conceptual foundations, the nanoelectronics and thermodynamics of DNA, the optoelectronic properties of the five DNA/RNA nucleobase anhydrous crystals, and key examples of molecular diode prototypes. A wide range of important applications are described, including protein binding of drugs such as cholesterol-lowering, anti-Parkinson and anti-migraine drugs, and recent developments in cancer biology are also discussed. This modern and comprehensive text is essential reading for graduate students and researchers in multidisciplinary areas of biological physics, chemical physics, chemical engineering, biochemistry and bioengineering.
Author : David B. Cook
Publisher : Courier Corporation
ISBN 13 : 0486443078
Total Pages : 852 pages
Book Rating : 4.4/5 (864 download)
Download or read book Handbook of Computational Quantum Chemistry written by David B. Cook and published by Courier Corporation. This book was released on 2005-08-02 with total page 852 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.
Author : Joseph J W McDouall
Publisher : Royal Society of Chemistry
ISBN 13 : 1782625860
Total Pages : 252 pages
Book Rating : 4.7/5 (826 download)
Download or read book Computational Quantum Chemistry written by Joseph J W McDouall and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.
Author : Markus Reiher
Publisher : John Wiley & Sons
ISBN 13 : 3527627499
Total Pages : 692 pages
Book Rating : 4.5/5 (276 download)
Download or read book Relativistic Quantum Chemistry written by Markus Reiher and published by John Wiley & Sons. This book was released on 2009-05-13 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by two researchers in the field, this book is a reference to explain the principles and fundamentals in a self-contained, complete and consistent way. Much attention is paid to the didactical value, with the chapters interconnected and based on each other. From the contents: * Fundamentals * Relativistic Theory of a Free Electron: Diracï¿1⁄2s Equation * Dirac Theory of a Single Electron in a Central Potential * Many-Electron Theory I: Quantum Electrodynamics * Many-Electron Theory II: Dirac-Hartree-Fock Theory * Elimination of the Small Component * Unitary Transformation Schemes * Relativistic Density Functional Theory * Physical Observables and Molecular Properties * Interpretive Approach to Relativistic Quantum Chemistry From beginning to end, the authors deduce all the concepts and rules, such that readers are able to understand the fundamentals and principles behind the theory. Essential reading for theoretical chemists and physicists.
Author : Ajit J. Thakkar
Publisher :
ISBN 13 : 9780750338264
Total Pages : 0 pages
Book Rating : 4.3/5 (382 download)
Download or read book Quantum Chemistry written by Ajit J. Thakkar and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides non-specialists with a basic understanding of the underlying concepts of quantum chemistry. It is both a text for second- or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely use spectroscopic measurements and electronic structure computations in their work. This book is designed to help the novice user of these tools achieve a basic understanding of the underlying concepts of quantum chemistry. The emphasis is on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundational text. This new edition features extensive changes to increase clarity and to accommodate new material, including additional problems. a comprehensive list of resources and an introduction to computational quantum chemistry, while preserving the book's concise and accessible nature.
Author : Chérif F. Matta
Publisher : John Wiley & Sons
ISBN 13 : 3527610693
Total Pages : 567 pages
Book Rating : 4.5/5 (276 download)
Download or read book The Quantum Theory of Atoms in Molecules written by Chérif F. Matta and published by John Wiley & Sons. This book was released on 2007-06-27 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.
Author : Alexander V. Glushkov
Publisher : Springer Nature
ISBN 13 : 3030683141
Total Pages : 358 pages
Book Rating : 4.0/5 (36 download)
Download or read book Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology written by Alexander V. Glushkov and published by Springer Nature. This book was released on 2021-06-29 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.
Author : Robert A. Evarestov
Publisher : Springer Science & Business Media
ISBN 13 : 3540487484
Total Pages : 559 pages
Book Rating : 4.5/5 (44 download)
Download or read book Quantum Chemistry of Solids written by Robert A. Evarestov and published by Springer Science & Business Media. This book was released on 2007-08-16 with total page 559 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based, density-based (DFT) and hybrid hamiltonians. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties.
Author : Erkki J. Brändas
Publisher : Elsevier
ISBN 13 : 0080560628
Total Pages : 517 pages
Book Rating : 4.0/5 (85 download)
Download or read book Advances in Quantum Chemistry written by Erkki J. Brändas and published by Elsevier. This book was released on 2004-12-01 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, and chemistry. With invited reviews written by leading international researchers, as well as regular thematic issues, each volume presents new results and provides a single vehicle for following progress in this interdisciplinary area. Volume 47 is a tribute in honor of Professor Osvaldo Goscinski. The volume will look at the accomplishments of a man who has led a remarkable development within the field and developed and strengthened scientific networks in Quantum Chemistry and Chemical Physics. Provides a tribute in honor of Professor Osvaldo Goscinski, a man who has led a remarkable development within the field
Author : Mihai V. Putz
Publisher : CRC Press
ISBN 13 : 1482231603
Total Pages : 512 pages
Book Rating : 4.4/5 (822 download)
Download or read book Quantum Nanosystems written by Mihai V. Putz and published by CRC Press. This book was released on 2014-09-19 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: The need for economically feasible and multifunctional materials becomes more acute as the natural physical and chemical resources reveal either their limits or reveal the difficulties and increasing costs in storage, transport, and conversion. This reference presents the work from contributors from various fields, of various ages and from differen
Author : National Library of Medicine (U.S.)
Publisher :
ISBN 13 :
Total Pages : 1174 pages
Book Rating : 4.3/5 (91 download)
Download or read book Current Catalog written by National Library of Medicine (U.S.) and published by . This book was released on 1982 with total page 1174 pages. Available in PDF, EPUB and Kindle. Book excerpt: First multi-year cumulation covers six years: 1965-70.
Author : Ram Yatan Prasad
Publisher : CRC Press
ISBN 13 : 100034469X
Total Pages : 715 pages
Book Rating : 4.0/5 (3 download)
Download or read book Computational Quantum Chemistry written by Ram Yatan Prasad and published by CRC Press. This book was released on 2021-03-10 with total page 715 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Quantum Chemistry, Second Edition, is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of different methods. The book consists of a wider range of applications in each chapter. It also provides a number of references which will be useful for academic and industrial researchers. It includes a large number of worked-out examples and unsolved problems for enhancing the computational skill of the users. Features Includes comprehensive coverage of most essential basic concepts Achieves greater clarity with improved planning of topics and is reader-friendly Deals with the mathematical techniques which will help readers to more efficient problem solving Explains a structured approach for mathematical derivations A reference book for academicians and scientific investigators Ram Yatan Prasad, PhD, DSc (India), DSc (hc) Colombo, is a Professor of Chemistry and former Vice Chancellor of S.K.M University, Jharkhand, India. Pranita, PhD, DSc (hc) Sri Lanka, FICS, is an Assistant Professor of Chemistry at Vinoba Bhave University, India.
Author : S.M. Blinder
Publisher : Academic Press
ISBN 13 : 0128223111
Total Pages : 436 pages
Book Rating : 4.1/5 (282 download)
Download or read book Introduction to Quantum Mechanics written by S.M. Blinder and published by Academic Press. This book was released on 2020-10-09 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Quantum Mechanics, 2nd Edition provides an accessible, fully updated introduction to the principles of quantum mechanics. It outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of current scientific developments.Beginning with a solid introduction to the key principles underpinning quantum mechanics in Part 1, the book goes on to expand upon these in Part 2, where fundamental concepts such as molecular structure and chemical bonding are discussed. Finally, Part 3 discusses applications of this quantum theory across some newly developing applications, including chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing.Drawing on the extensive experience of its expert author, Introduction to Quantum Mechanics, 2nd Edition is a lucid introduction to the principles of quantum mechanics for anyone new to the field, and a useful refresher on fundamental knowledge and latest developments for those varying degrees of background. Presents a fully updated accounting that reflects the most recent developments in Quantum Theory and its applications Includes new chapters on Special Functions, Density Functional Theory, Statistical Thermodynamics and Quantum Computers Presents additional problems and exercises to further support learning
Author : Sen Kali Das
Publisher : World Scientific
ISBN 13 : 9814489182
Total Pages : 1880 pages
Book Rating : 4.8/5 (144 download)
Download or read book Reviews Of Modern Quantum Chemistry: A Celebration Of The Contributions Of Robert G Parr (In 2 Vols) written by Sen Kali Das and published by World Scientific. This book was released on 2002-12-09 with total page 1880 pages. Available in PDF, EPUB and Kindle. Book excerpt: This important book collects together state-of-the-art reviews of diverse topics covering almost all the major areas of modern quantum chemistry. The current focus in the discipline of chemistry — synthesis, structure, reactivity and dynamics — is mainly on control. A variety of essential computational tools at the disposal of chemists have emerged from recent studies in quantum chemistry. The acceptance and application of these tools in the interfacial disciplines of the life and physical sciences continue to grow. The new era of modern quantum chemistry throws up promising potentialities for further research.Reviews of Modern Quantum Chemistry is a joint endeavor, in which renowned scientists from leading universities and research laboratories spanning 22 countries present 59 in-depth reviews. Along with a personal introduction written by Professor Walter Kohn, Nobel laureate (Chemistry, 1998), the articles celebrate the scientific contributions of Professor Robert G Parr on the occasion of his 80th birthday.List of Contributors: W Kohn, M Levy, R Pariser, B R Judd, E Lo, B N Plakhutin, A Savin, P Politzer, P Lane, J S Murray, A J Thakkar, S R Gadre, R F Nalewajski, K Jug, M Randic, G Del Re, U Kaldor, E Eliav, A Landau, M Ehara, M Ishida, K Toyota, H Nakatsuji, G Maroulis, A M Mebel, S Mahapatra, R Carbó-Dorca, Á Nagy, I A Howard, N H March, S-B Liu, R G Pearson, N Watanabe, S Ten-no, S Iwata, Y Udagawa, E Valderrama, X Fradera, I Silanes, J M Ugalde, R J Boyd, E V Ludeña, V V Karasiev, L Massa, T Tsuneda, K Hirao, J-M Tao, J P Perdew, O V Gritsenko, M Grüning, E J Baerends, F Aparicio, J Garza, A Cedillo, M Galván, R Vargas, E Engel, A Höck, R N Schmid, R M Dreizler, J Poater, M Solà, M Duran, J Robles, X Fradera, P K Chattaraj, A Poddar, B Maiti, A Cedillo, S Gutiérrez-Oliva, P Jaque, A Toro-Labbé, H Chermette, P Boulet, S Portmann, P Fuentealba, R Contreras, P Geerlings, F De Proft, R Balawender, D P Chong, A Vela, G Merino, F Kootstra, P L de Boeij, R van Leeuwen, J G Snijders, N T Maitra, K Burke, H Appel, E K U Gross, M K Harbola, H F Hameka, C A Daul, I Ciofini, A Bencini, S K Ghosh, A Tachibana, J M Cabrera-Trujillo, F Tenorio, O Mayorga, M Cases, V Kumar, Y Kawazoe, A M Köster, P Calaminici, Z Gómez, U Reveles, J A Alonso, L M Molina, M J López, F Dugue, A Mañanes, C A Fahlstrom, J A Nichols, D A Dixon, P A Derosa, A G Zacarias, J M Seminario, D G Kanhere, A Vichare, S A Blundell, Z-Y Lu, H-Y Liu, M Elstner, W-T Yang, J Muñoz, X Fradera, M Orozco, F J Luque, P Tarakeshwar, H M Lee, K S Kim, M Valiev, E J Bylaska, A Gramada, J H Weare, J Brickmann, M Keil, T E Exner, M Hoffmann & J Rychlewski.
