Quantum Chemistry Research Trends
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Quantum Chemistry Research Trends
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Author : Mikas P. Kaisas
language : en
Publisher:
Release Date : 2007
Quantum Chemistry Research Trends written by Mikas P. Kaisas and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007 with Science categories.
Quantum chemistry is a branch of theoretical chemistry, which applies quantum mechanics and quantum field theory to address issues and problems in chemistry. The description of the electronic behaviour of atoms and molecules as pertaining to their reactivity is one of the applications of quantum chemistry. Quantum chemistry lies on the border between chemistry and physics, and significant contributions have been made by scientists from both fields. It has a strong and active overlap with the field of atomic physics and molecular physics, as well as physical chemistry. This book presents leading research in the field.
Advances In Methods And Applications Of Quantum Systems In Chemistry Physics And Biology
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Author : Alexander V. Glushkov
language : en
Publisher: Springer Nature
Release Date : 2021-06-29
Advances In Methods And Applications Of Quantum Systems In Chemistry Physics And Biology written by Alexander V. Glushkov and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-06-29 with Science categories.
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.
Advances In Quantum Chemistry
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Author : Sten Salomonson
language : en
Publisher: Elsevier
Release Date : 2011-08-09
Advances In Quantum Chemistry written by Sten Salomonson and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-08-09 with Science categories.
Approx.300 pages Approx.300 pages
Advances In The Theory Of Quantum Systems In Chemistry And Physics
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Author : Philip E. Hoggan
language : en
Publisher: Springer Science & Business Media
Release Date : 2011-11-16
Advances In The Theory Of Quantum Systems In Chemistry And Physics written by Philip E. Hoggan and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-11-16 with Science categories.
Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010. This volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in chemistry, physics, and biology. The breadth and depth of the scientific topics discussed during QSCP-XV are gathered in seven sections: I. Fundamental Theory; II. Model Atoms; III. Atoms and Molecules with Exponential-Type Orbitals; IV. Density-Oriented Methods; V. Dynamics and Quantum Monte-Carlo Methodology; VI. Structure and Reactivity; VII. Complex Systems, Solids, Biophysics. Advances in the Theory of Quantum Systems in Chemistry and Physics is written for research students and professionals in Quantum systems of chemistry and physics. It also constitutes and invaluable guide for those wishing to familiarize themselves with research perspectives in the domain of quantum systems for thematic conversion or simply to gain insight into the methodological developments and applications to physics chemistry and biology that have actually become feasible by the end of 2010.
Computational Chemistry Reviews Of Current Trends Vol 6
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Author : Marcel Allavena
language : en
Publisher: World Scientific
Release Date : 2001-08-22
Computational Chemistry Reviews Of Current Trends Vol 6 written by Marcel Allavena and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-08-22 with Science categories.
There are strong indications that, in the 21st century, computational chemistry will be a prime research tool not only for the basic sciences but also for the life and materials sciences. Recent developments in nanotechnology allow us to detect a layer of single atoms. Researchers are able not only to image but also to manipulate molecules and atoms. It does not take much imagination to realize that before performing such a task on a real system it is much easier and faster to study models on computers. That is the aim of this volume — it provides up-to-date reviews which cover representative areas of computational chemistry.In Chapter 1, Y Ishikawa and M J Vilkas provide a review of multireference Moller-Plesset (MR-MP) perturbation theory. Fifteen years ago Roberto Car of Princeton University and Michele Parrinello of Max Planck Institute introduced a method that revolutionized electronic structure calculations for molecules, liquids and solids. Ursula Rothlisberger, a former member of Parrinello's group, reviews the formation of the method in its most common implementations in Chapter 2. In the third chapter, Isaac B Bersuker describes the general theory of the combined quantum mechanics-molecular mechanics (QM/MM) approach. In Chapter 4, Marcel Allavena and David White present a review of applications of computational chemistry to proton transfer, the primary process for acid-base chemistry on zeolites. Chapter 5 is a review by S Roszak and J Leszczynski of recent data on the clusters formed from the charged ion and weakly interacting ligands. The last chapter, contributed by Carlos R Handy, is devoted to recent developments in the incorporation of continuous wavelet transform analysis into quantum operator theory.
Conceptual Trends In Quantum Chemistry
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Author : Eugene S. Kryachko
language : en
Publisher:
Release Date : 2014-01-15
Conceptual Trends In Quantum Chemistry written by Eugene S. Kryachko and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-15 with categories.
Emerging Trends Of Research In Chemical Sciences
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Author : Tanmoy Chakraborty
language : en
Publisher: CRC Press
Release Date : 2021-09-08
Emerging Trends Of Research In Chemical Sciences written by Tanmoy Chakraborty and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-08 with Science categories.
Here is a compilation of the research being done by scientists from various disciplines of chemistry at universities across the globe. This new volume provides a wealth of practical experience and research on new methodologies and important applications in chemical science. It also includes presentations on small-scale new drug design related projects that have potential applications in several disciplines of chemistry and in drug development. In this book, contributions range from new methods to novel applications of existing methods to enhance understanding of the material and/or structural behavior of new and advanced systems. Topics cover computational methods in chemical sciences and electrochemical investigations; studies of some of physico-chemical properties of several important novel macrocyclic ligands; the use of lanthanide-ions doped nanomaterials; quantitative estimation of heavy metals, a sustainable, efficient and green promoter for the synthesis of some heterocyclic compounds; and much more.
Quantum Chemistry
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Author : Ramón Carbó
language : en
Publisher: Elsevier Publishing Company
Release Date : 1989
Quantum Chemistry written by Ramón Carbó and has been published by Elsevier Publishing Company this book supported file pdf, txt, epub, kindle and other format this book has been release on 1989 with Science categories.
This international workshop on quantum chemistry brought together some of the world's best research workers in the field. Their papers address classical quantum chemical concepts as well as the newest aspects and trends, and describe quantum chemical applications to a large variety of problems.
Advances In Quantum Chemistry
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Author :
language : en
Publisher: Elsevier
Release Date : 2023-09-28
Advances In Quantum Chemistry written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-09-28 with Science categories.
Advances in Quantum Chemistry, Volume 88 presents the latest ongoing research at the forefront of Electronic structure theory. Chapters in the updated release include Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model, Analytical evaluation of Hylleraas-CI Coulomb and Hybrid two-center Integrals over Slater orbitals, Hartree-Fock-Roothaan Theory of Molecular Compton Profiles Via Position Space Method, Analysis of Research Trend on the Molecular Integrals Over Slater Type Orbitals, An efficient approximation for accelerating convergence of numerical power series, Results for the 1D-Schroedinger equation, The aims and objectives of algebraic molecular orbital theory, and much more. Includes new theoretical methods Provides state-of-the art electron correlation, methods and effects Covers the challenge of excited electronic states
Quantum Computational Chemistry
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Author : Taku Onishi
language : en
Publisher: Springer
Release Date : 2017-09-22
Quantum Computational Chemistry written by Taku Onishi and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-09-22 with Science categories.
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular orbitals, with many research examples in the field of batteries, catalysts, organic molecules and biomolecules. Finally, future trends in computational chemistry are introduced.