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Next Generation Quantum Theory Of Atoms In Molecules
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Book Synopsis Next Generation Quantum Theory of Atoms in Molecules by : Samantha Jenkins
Download or read book Next Generation Quantum Theory of Atoms in Molecules written by Samantha Jenkins and published by Springer Nature. This book was released on 2023-07-01 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book begins by providing a simplified version of the computational quantum chemistry sufficient to calculate the wavefunctions that are the basic input of NG-QTAIM. Enough basic (scalar) QTAIM theory is provided to understand the later chapters. In addition, our developments of scalar QTAIM are presented and activities at various levels of difficulty are provided for the readership to facilitate understanding. The topological origins of Quantum Theory of Atoms in Molecules (QTAIM) before explaining the highlights and consequences of the developments of Next-Generation QTAIM (NG-QTAIM) that is a 3-D vector-based realization of QTAIM. The book compiles all developments and extensions of Next-Generation QTAIM in one place for easy reference for those engaged in theoretical/computational chemistry. Essential insights into molecular switch functioning not available from the energy barrier or any scalar measures are presented along with a new measure to assess the efficiency of rotary molecular motors. The book also discusses how the treatment of external forces such as electric fields and laser irradiation is included in NG-QTAIM. This book benefits theoretical/computational chemists/physics/engineers, students (graduate and undergraduate) and chemical/pharmaceutical industry researchers who carry out chemical computations in universities and industries. Where appropriate, Target Learning Outcomes and Further Reading are provided along with a list of the scientific goals to be addressed in addition to a glossary table in the summary sections. Where applicable each chapter concludes by outlining benefits, limitations and suggestions for further investigations. All our NG-QTAIM publications are available as pre-prints in the form of .pdf files along with the corresponding supplementary materials at our BEACON website www.beaconresearch.org.
Book Synopsis Advances in Quantum Chemical Topology Beyond QTAIM by : Juan I. Rodriguez
Download or read book Advances in Quantum Chemical Topology Beyond QTAIM written by Juan I. Rodriguez and published by Elsevier. This book was released on 2022-12-06 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemical Topology Beyond QTAIM provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed. Drawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties. - Provides a contemporary review of the extensions and application of QTAIM methods - Compiles all extensions of QTAIM in one place for easy reference - Includes a chapter with an Introduction to Quantum Chemistry - Presents complex information at a level accessible to those engaged in theoretical/computational chemistry
Book Synopsis The Quantum Theory of Atoms in Molecules by : Chérif F. Matta
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 2007-04-09 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.
Book Synopsis Next Generation Knowledge Machines by : Syed V. Ahamed
Download or read book Next Generation Knowledge Machines written by Syed V. Ahamed and published by Elsevier. This book was released on 2013-09-13 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book delivers the scientific and mathematical basis to treat and process knowledge as a quantifiable and dimensioned entity. It provides the units and measures for the value of information contained in a "body of knowledge" that can be measured, processed, enhanced, communicated and preserved. It provides a basis to evaluate the quantity of knowledge acquired by students at various levels and in different universities. The effect of time on the dynamics and flow of knowledge is tied to Internet knowledge banks and provides the basis for designing and building the next generation of novel machine to appear in society. This book ties the basic needs of all human beings to the modern machines that resolve such need based on Internet knowledge banks (KBs) distributed throughout nations and societies. The features of the Intelligent Internet are fully exploited to make a new generation of students and knowledge workers use the knowledge resources elegantly and optimally. It deals with topics and insight into the design and architecture of next-generation computing systems that deal with human and social problems. Processor and Internet technologies that have already revolutionized human lives form the subject matter and the focal point of this book. Information and knowledge on the Internet delivered by next-generation mobile networks form the technical core presented. Human thought processes and adjustments follow the solutions offered by machines. - Extends the established practices and designs documented in computer systems to encompass the evolving knowledge processing field - Provides an academic and industrial viewpoint of the concurrent dynamic changes in computer and communication industries - Presents information for all perspectives, from managers, scientists and researchers - Basic concepts can be applied to other disciplines and situations
Book Synopsis Controlling the Quantum World by : National Research Council
Download or read book Controlling the Quantum World written by National Research Council and published by National Academies Press. This book was released on 2007-06-21 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: As part of the Physics 2010 decadal survey project, the Department of Energy and the National Science Foundation requested that the National Research Council assess the opportunities, over roughly the next decade, in atomic, molecular, and optical (AMO) science and technology. In particular, the National Research Council was asked to cover the state of AMO science, emphasizing recent accomplishments and identifying new and compelling scientific questions. Controlling the Quantum World, discusses both the roles and challenges for AMO science in instrumentation; scientific research near absolute zero; development of extremely intense x-ray and laser sources; exploration and control of molecular processes; photonics at the nanoscale level; and development of quantum information technology. This book also offers an assessment of and recommendations about critical issues concerning maintaining U.S. leadership in AMO science and technology.
Author :National Academies of Sciences, Engineering, and Medicine Publisher :National Academies Press ISBN 13 :0309499542 Total Pages :315 pages Book Rating :4.3/5 (94 download)
Book Synopsis Manipulating Quantum Systems by : National Academies of Sciences, Engineering, and Medicine
Download or read book Manipulating Quantum Systems written by National Academies of Sciences, Engineering, and Medicine and published by National Academies Press. This book was released on 2020-09-14 with total page 315 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of atomic, molecular, and optical (AMO) science underpins many technologies and continues to progress at an exciting pace for both scientific discoveries and technological innovations. AMO physics studies the fundamental building blocks of functioning matter to help advance the understanding of the universe. It is a foundational discipline within the physical sciences, relating to atoms and their constituents, to molecules, and to light at the quantum level. AMO physics combines fundamental research with practical application, coupling fundamental scientific discovery to rapidly evolving technological advances, innovation and commercialization. Due to the wide-reaching intellectual, societal, and economical impact of AMO, it is important to review recent advances and future opportunities in AMO physics. Manipulating Quantum Systems: An Assessment of Atomic, Molecular, and Optical Physics in the United States assesses opportunities in AMO science and technology over the coming decade. Key topics in this report include tools made of light; emerging phenomena from few- to many-body systems; the foundations of quantum information science and technologies; quantum dynamics in the time and frequency domains; precision and the nature of the universe, and the broader impact of AMO science.
Book Synopsis Quantum Physics Voyage by : Rob Botwright
Download or read book Quantum Physics Voyage written by Rob Botwright and published by Rob Botwright. This book was released on 101-01-01 with total page 221 pages. Available in PDF, EPUB and Kindle. Book excerpt: 🚀 Quantum Physics Voyage - Uncover the Secrets of the Quantum Universe! Are you fascinated by the mysteries of the quantum world? Do you want to embark on a captivating journey through the realms of quantum physics, from the very basics to the most advanced concepts? Look no further! The Quantum Physics Voyage book bundle is your ultimate guide to understanding the quantum universe. 📚 Discover Four Enriching Books in One Bundle: 📖 Book 1 - Quantum Physics for Beginners: Dive into the fundamentals of quantum mechanics, where we demystify the intriguing concepts that govern the behavior of particles at the subatomic level. Explore wave-particle duality, quantum superposition, and the uncertainty principle. This book is the perfect starting point for quantum novices. 🚀 Book 2 - From String Theory to Quantum Computing: Embark on a thrilling journey that takes you from the elegance of string theory to the cutting-edge world of quantum computing. Unify the laws of physics, unravel the mysteries of qubits and quantum algorithms, and witness the potential of quantum supremacy in computation. 🔍 Book 3 - Quantum Physics Demystified: Transition from a novice to a quantum expert. Delve into advanced topics such as quantum states, operators, and experiments. This book serves as a bridge that empowers you to explore quantum physics in greater depth. 🌌 Book 4 - Mastering Quantum Physics: Reach the pinnacle of your journey as you explore advanced concepts like quantum field theory, relativistic quantum mechanics, and quantum gravity. Discover the fascinating connections between quantum physics and the enigmatic world of string theory. 🌟 Why Choose the Quantum Physics Voyage? ✅ Comprehensive Learning: This bundle provides a holistic understanding of quantum physics, ensuring you have a strong foundation before delving into advanced topics. ✅ Seamless Progression: Each book builds upon the knowledge gained in the previous one, offering a smooth learning curve for readers of all levels. ✅ Expert Guidance: Benefit from the expertise of seasoned authors who simplify complex concepts and make quantum physics accessible to all. ✅ Real-World Applications: Understand how quantum physics impacts technology, science, and our daily lives. ✅ Uncover the Future: Gain insights into the latest advancements and trends in quantum physics. 🔮 Start Your Quantum Journey Today! Whether you're a curious beginner, a science enthusiast, or a student aiming to grasp the intricacies of quantum physics, the Quantum Physics Voyage book bundle is your ticket to explore the quantum universe. Join the ranks of those who have unlocked the secrets of the subatomic world and prepare to be amazed. 📦 Don't miss this opportunity to own a comprehensive collection of quantum physics knowledge in one bundle! Grab your copy of the Quantum Physics Voyage now and embark on a voyage that will expand your mind and deepen your understanding of the universe.
Book Synopsis Modern Quantum Chemistry by : Attila Szabo
Download or read book Modern Quantum Chemistry written by Attila Szabo and published by Courier Corporation. This book was released on 2012-06-08 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.
Book Synopsis Molecular Quantum Mechanics by : Peter W. Atkins
Download or read book Molecular Quantum Mechanics written by Peter W. Atkins and published by Oxford University Press. This book was released on 2011 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text unravels those fundamental physical principles which explain how all matter behaves. It takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules.
Book Synopsis Quantum Modeling of Complex Molecular Systems by : Jean-Louis Rivail
Download or read book Quantum Modeling of Complex Molecular Systems written by Jean-Louis Rivail and published by Springer. This book was released on 2015-10-13 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Molecular Quantum Electrodynamics by : Akbar Salam
Download or read book Molecular Quantum Electrodynamics written by Akbar Salam and published by John Wiley & Sons. This book was released on 2009-11-16 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first such book devoted exclusively to the MQED theory of long-range intermolecular forces, this resource gives the first presentation of the second quantized Maxwell field formulation of the theory. The coverage includes recently developed non-perturbative approaches for treating a variety of intermolecular interactions. It also provides a comprehensive treatment of discriminatory forces and their subsequent modification by a radiation field. This provides an essential resource for theoretical and physical chemists; atomic, molecular, and optical physicists; as well as biophysicists, materials scientists, and nanochemists.
Book Synopsis Controlling the Quantum World of Atoms, Molecules, and Photons by : National Research Council
Download or read book Controlling the Quantum World of Atoms, Molecules, and Photons written by National Research Council and published by National Academies Press. This book was released on 2005-11-15 with total page 13 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic, molecular, and optical (AMO) science illustrates powerfully the ties of fundamental physics to society. Its very name comes from three of the twentieth century's greatest advances: the establishment of the atom as the building block of matter; the development of quantum mechanics, which made it possible to understand the inner workings of atoms and molecules; and the invention of the laser. Advances made possible by the scientists in this field touch almost every sphere of societal importance in the past century. Navigation by the stars gave way to navigation by clocks, which in turn has given way to today's navigation by atomic clocks. Laser surgery has replaced the knife for the most delicate operations. Homeland security relies on a multitude of screening technologies based on AMO research to detect toxins in the air and hidden weapons in luggage or on persons, to name a few. New drugs are now designed with the aid of x-ray scattering to determine their structure at the molecular level using AMO-based precision measurement techniques. And the global economy depends critically on high-speed telecommunication by laser light sent over thin optical fibers encircling the globe. AMO scientists are proud of their central role in science and society in the twentieth century, and they have been rewarded with numerous Nobel prizes over the past decade, including the 2005 prize in physics. But in this report we look to the future. The National Research Council of the National Academies has undertaken a study of opportunities in atomic, molecular, and optical (AMO) science and technology over roughly the next decade. The committee carrying out the AMO 2010 study, has been asked to assess the state of AMO science, emphasizing recent accomplishments and identifying new and compelling scientific questions. The six grand challenges, summarized below, will each form a chapter of the committee's final report: What is the nature of physical law? What happens at the lowest temperatures in the universe? What happens when we turn up the power? Can we control the inner workings of a molecule? How will we control and exploit the nanoworld? What lies beyond Moore's law? Controlling the Quantum World of Atoms, Molecules, and Photons: An Interim Report provides a preview of the final document. It summarizes the committee's opinion on the key opportunities in forefront AMO science and in closely related critical technologies and discusses some of the broad-scale conclusions of the final report. It also identifies how AMO science supports national R&D priorities.
Book Synopsis 25th Annual Conference of the German Crystallographic Society, March 27-30, 2017, Karlsruhe, Germany by :
Download or read book 25th Annual Conference of the German Crystallographic Society, March 27-30, 2017, Karlsruhe, Germany written by and published by Walter de Gruyter GmbH & Co KG. This book was released on 2017-03-20 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt: Zeitschrift für Kristallographie. Supplement Volume 37 presents the complete Abstracts of all contributions to the 25th Annual Conference of the German Crystallographic Society in Karlsruhe (Germany) 2017: - Plenary Talks - Microsymposia - Poster Session Supplement Series of Zeitschrift für Kristallographie publishes Abstracts of international conferences on the interdisciplinary field of crystallography.
Book Synopsis Intermolecular Interactions in Crystals by : Juan J Novoa
Download or read book Intermolecular Interactions in Crystals written by Juan J Novoa and published by Royal Society of Chemistry. This book was released on 2017-10-25 with total page 782 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of crystal engineering concerns the design and synthesis of molecular crystals with desired properties. This requires an in-depth understanding of the intermolecular interactions within crystal structures. This new book brings together the latest information and theories about intermolecular bonding, providing an introductory text for graduates. The book is divided into three parts. The first part covers the nature, physical meaning and methods for identification and analysis of intermolecular bonds. The second part explains the different types of bond known to occur in molecular crystals, with each chapter written by a specialist in that specific bond type. The final part discusses the cooperativity effects of different bond types present in one solid. This comprehensive textbook will provide a valuable resource for all students and researchers in the field of crystallography, materials science and supramolecular chemistry.
Book Synopsis Molecules in Physics, Chemistry, and Biology by : Jean Maruani
Download or read book Molecules in Physics, Chemistry, and Biology written by Jean Maruani and published by Springer Science & Business Media. This book was released on 1988-12-31 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences
Book Synopsis Molecules in Physics, Chemistry, and Biology by : J. Maruani
Download or read book Molecules in Physics, Chemistry, and Biology written by J. Maruani and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences
Author :National Academies of Sciences, Engineering, and Medicine Publisher :National Academies Press ISBN 13 :0309499518 Total Pages :315 pages Book Rating :4.3/5 (94 download)
Book Synopsis Manipulating Quantum Systems by : National Academies of Sciences, Engineering, and Medicine
Download or read book Manipulating Quantum Systems written by National Academies of Sciences, Engineering, and Medicine and published by National Academies Press. This book was released on 2020-10-14 with total page 315 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of atomic, molecular, and optical (AMO) science underpins many technologies and continues to progress at an exciting pace for both scientific discoveries and technological innovations. AMO physics studies the fundamental building blocks of functioning matter to help advance the understanding of the universe. It is a foundational discipline within the physical sciences, relating to atoms and their constituents, to molecules, and to light at the quantum level. AMO physics combines fundamental research with practical application, coupling fundamental scientific discovery to rapidly evolving technological advances, innovation and commercialization. Due to the wide-reaching intellectual, societal, and economical impact of AMO, it is important to review recent advances and future opportunities in AMO physics. Manipulating Quantum Systems: An Assessment of Atomic, Molecular, and Optical Physics in the United States assesses opportunities in AMO science and technology over the coming decade. Key topics in this report include tools made of light; emerging phenomena from few- to many-body systems; the foundations of quantum information science and technologies; quantum dynamics in the time and frequency domains; precision and the nature of the universe, and the broader impact of AMO science.
