Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics, Wang, Y.A., Thachuk, M., Krems, R., Maruani, J.
Автор: Matti Hotokka; Erkki J. Br?ndas; Jean Maruani; Ger Название: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology ISBN: 3319015281 ISBN-13(EAN): 9783319015286 Издательство: Springer Рейтинг: Цена: 243800.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology includes peer-reviewed contributions based on carefully selected presentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology.
Автор: K. Prassides Название: Mixed Valency Systems: Applications in Chemistry, Physics and Biology ISBN: 9401055998 ISBN-13(EAN): 9789401055994 Издательство: Springer Рейтинг: Цена: 186330.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Proceedings of the NATO Advanced Research Workshop, Aghia Pelaghia, Crete, Greece, June 10-16, 1990
Автор: V.P. Gupta Название: Principles And Applications Of Quantum Chemistry ISBN: 0128034785 ISBN-13(EAN): 9780128034781 Издательство: Elsevier Science Рейтинг: Цена: 83080.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: 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.
Автор: Philip E. Hoggan; Erkki J. Br?ndas; Jean Maruani; Название: Advances in the Theory of Quantum Systems in Chemistry and Physics ISBN: 9400795300 ISBN-13(EAN): 9789400795303 Издательство: Springer Рейтинг: Цена: 306530.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This book features selected papers presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV). It covers molecular quantum mechanics and their applications to a wide range of problems in chemistry, physics and biology.
Автор: Kiyoshi Nishikawa; Jean Maruani; Erkki J. Br?ndas; Название: Quantum Systems in Chemistry and Physics ISBN: 9400792875 ISBN-13(EAN): 9789400792876 Издательство: Springer Рейтинг: Цена: 390380.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание:
PART I. Fundamental Theory.- The Relativistic Kepler Problem and Gцdel's Paradox.- "The Dirac Electron: Spin, Zitterbewegung, the Compton Wavelength, and the Kinetic Foundation of Rest Mass".- Molecular Parity Violation and Chirality: the Asymmetry of Life and the Symmetry Violations of Physics.- PART II. Molecular Processes.- Application of Density Matrix Method to Ultrafast Processes.- Quantum Master Equation Study of Electromagnetically Induced Transparency in Dipole-Coupled Dimer Models.- Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules.- Simulation of Nuclear Dynamics of C60: from Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation.- Systematics and Prediction in Franck-Condon Factors.- Electron Momentum Distribution and Atomic Collisions.- Ab initio Path Integral Molecular Dynamics: Simulations of F2H- and F2H+.- Relativistic Energy Approach to Cooperative Electron -Nuclear Processes: NEET Effect.- Advanced Relativistic Energy Approach to Radiative Decay Processes in Multielectron Atoms and Multicharged Ions.- PART III. Molecular Structure.- "Solving the Schrцdinger Equation for the Hydrogen Molecular Ion in a Magnetic Field using the Free-Complement Method".- Description of Core Ionized and Excited States by Density Functional Theory and Time-Dependent Density Functional Theory.- Intermolecular Potentials of the Carbon Tetrachloride and Trifluoromethane Dimers Calculated with Density Functional Theory.- Ab-initio study of the Potential Energy Surface and Stability of the Li2+(X2Σg+) Alkali Dimer in Interaction with the Xenon Atom.- Validation of Quantum Chemical Calculations for Sulfonamide Geometrical Parameters.- Approximate Spin Projection for Geometry Optimization of Biradical Systems - Case Studies of Through-Space and Through-Bond Systems.- PART IV. Molecular Properties.- DFT Calculations of the Hetero-Junction Effect for Precious Metal Cluster Catalysts.- Luminescence Wavelengths and Energy Level Structure of Binuclear Copper Complexes and Related Metal Complexes.- Valence XPS, IR, and Solution 13C NMR Spectral Analysis of Representative Polymers by Quantum Chemical Calculations.- PART V. Condensed Matter.- Quantum Decoherence at the Femtosecond Level in Liquids and Solids Observed in Neutron Compton Scattering.- Variational Path Integral Molecular Dynamics Study of Small Para-Hydrogen Clusters.- Origin of Antiferromagnetism in Molecular and Periodic Systems in the Original KohnSham Local Density Approximation.- Calculation of Magnetic Properties and Spectroscopic Parameters of Manganese Clusters with Density Functional Theory.- Density Functional Study of Manganese Complexes: Protonation Effects on Geometry and Magnetism.- Depth Profile Assignments of nm and mm Orders by Quantum Chemical Calculations for Chitosan Films Modified by Kr+ Beam Bombardment.- PART VI. Biosystems.- Color Tuning in Human Cone Visual Pigments: the Role of the Protein Environment.- Free Energy of Cell-Penetrating Peptide through Lipid Bilayer Membrane: Coarse-Grained Model Simulation.- Density Functional Study of the Origin of the Strongly Delocalized Electronic Structure of the CuA Site in Cytochrome c Oxidase.- The Potentials of the Atoms around Mg2+ in the H-ras GTP and GDP Complexes.- Molecular Dynamics Study of Glutathione S-Transferase: Structure and Binding Character of Glutathione.- Designing the Binding Surface of Proteins to Construct Nano-Fibers.
Автор: J. Maruani; Christian Minot; R. McWeeny; Y.G. Smey Название: New Trends in Quantum Systems in Chemistry and Physics ISBN: 1402004125 ISBN-13(EAN): 9781402004124 Издательство: Springer Рейтинг: Цена: 121110.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Based on the contributions to the fourth European Quantum Systems in Chemistry and Physics workshop held in Marly, France, in 1999. This volume covers topics such as: response theory, reactive collisions and chemical reactions and condensed matter.
Quantum Systems in Physics, Chemistry and Biology, Theory, Interpretation, and Results, Volume 78, the latest release in the Advances in Quantum Chemistry seriespresents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. It features detailed reviews written by leading international researchers.
Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology
Features detailed reviews written by leading international researchers
Автор: M.A.C. Nascimento; Jean Maruani; Erkki J. Br?ndas; Название: Frontiers in Quantum Methods and Applications in Chemistry and Physics ISBN: 3319143964 ISBN-13(EAN): 9783319143965 Издательство: Springer Рейтинг: Цена: 232910.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This edited, multi-author volume contains 14 selected, peer–reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013. It is divided into several sections written by leaders in the respective fields of quantum methodology applied to atomic molecular and condensed matter systems, each containing the most relevant material based on related topics. Recent advances and state-of-the-art developments in the quantum theory of atomic, molecular and condensed matter systems (including bio and nano structures) are presented.
Автор: Alia Tadjer and Rossen Pavlov Название: Quantum systems in physics, chemistry, and biology. ISBN: 3319502549 ISBN-13(EAN): 9783319502540 Издательство: Springer Рейтинг: Цена: 204970.00 T Наличие на складе: Поставка под заказ. Описание: This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology.
Автор: Alfonso Hern?ndez-Laguna; J. Maruani; R. McWeeny; Название: Quantum Systems in Chemistry and Physics ISBN: 0792359690 ISBN-13(EAN): 9780792359692 Издательство: Springer Рейтинг: Цена: 174150.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Contains forty papers from the third European Quantum Systems in Chemistry and Physics Workshop held in Granada, Spain (1997). These books cover a spectrum of scientific research work from quantum-mechanical many-body methods to applications and computational developments, and from atoms and molecules to condensed matter.
Автор: Alfonso Hern?ndez-Laguna; J. Maruani; R. McWeeny; Название: Quantum Systems in Chemistry and Physics ISBN: 0792359704 ISBN-13(EAN): 9780792359708 Издательство: Springer Рейтинг: Цена: 204040.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Contains forty papers from the third European Quantum Systems in Chemistry and Physics Workshop held in Granada, Spain (1997). These books cover a spectrum of scientific research work from quantum-mechanical many-body methods to applications and computational developments, and from atoms and molecules to condensed matter.
Автор: J. Maruani; Christian Minot; R. McWeeny; Y.G. Smey Название: New Trends in Quantum Systems in Chemistry and Physics ISBN: 079236709X ISBN-13(EAN): 9780792367093 Издательство: Springer Рейтинг: Цена: 149060.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Contains the contributions to the fourth European Quantum Systems in Chemistry and Physics workshop held in Marly, France, in 1999. This title covers topics that include response theory, reactive collisions and chemical reactions and condensed matter.
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