Concepts and Methods in Modern Theoretical Chemistry, Ghosh, Swapan Kumar
Автор: Bisquert Название: Nanostructured Energy Devices ISBN: 1439836027 ISBN-13(EAN): 9781439836026 Издательство: Taylor&Francis Рейтинг: Цена: 132710.00 T Наличие на складе: Нет в наличии. Описание: This book covers the physical principles and applications of a range of nanoscale materials and devices that are key for the energy revolution, including hybrid and organic solar cells, lithium batteries, and supercapacitors. Topics discussed range from the fundamental concepts of operating nanoscale energy devices to advanced device modeling. Modeling is presented as a function of the characterization techniques used to test device properties, emphasizing impedance spectroscopy characteristics, since it provides a unifying theme that connects the properties of the different energy devices.
Автор: Kolasinski, Kurt W. Название: Physical Chemistry: how Chemistry works/ Kolasinski Kurt W. Wiley, 2016 9781118751121 ISBN: 1118751124 ISBN-13(EAN): 9781118751121 Издательство: Wiley Рейтинг: Цена: 71750.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Much of chemistry is motivated by asking `How`? How do I make a primary alcohol? React a Grignard reagent with formaldehyde. Physical chemistry is motivated by asking `Why`? The Grignard reagent and formaldehyde follow a molecular dance known as a reaction mechanism in which stronger bonds are made at the expense of weaker bonds.
Автор: Jerzy Leszczynski; Manoj Shukla Название: Practical Aspects of Computational Chemistry ISBN: 904812686X ISBN-13(EAN): 9789048126866 Издательство: Springer Рейтинг: Цена: 174150.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. This title includes chapters that focus on the theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources.
This edited, multi-author volume contains selected, peer–reviewed contributions based on the presentations given at the 21th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI), held in Vancouver, Canada, in July 2016.
This book is primarily aimed at scholars, researchers and graduate students working at universities and scientific laboratories and interested in the structure, properties, dynamics and spectroscopy of atoms, molecules, biological systems and condensed matter.
Название: Concepts and Methods in Modern Theoretical Chemistry ISBN: 0367380315 ISBN-13(EAN): 9780367380311 Издательство: Taylor&Francis Рейтинг: Цена: 65320.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание:
Concepts and Methods in Modern Theoretical Chemistry: Statistical Mechanics, the second book in a two-volume set, focuses on the dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict chemical dynamics.
This book covers a wide range of subjects, including discussions on the following topics:
Time-dependent DFT
Quantum fluid dynamics (QFD)
Photodynamic control, nonlinear dynamics, and quantum hydrodynamics
Molecules in a laser field, charge carrier mobility, and excitation energy transfer
Mechanisms of chemical reactions
Nucleation, quantum Brownian motion, and the third law of thermodynamics
Transport properties of binary mixtures
Although most of the chapters are written at a level that is accessible to a senior graduate student, experienced researchers will also find interesting new insights in these experts' perspectives. This book provides an invaluable resource toward understanding the whole gamut of atoms, molecules, and clusters.
Название: Concepts and Methods in Modern Theoretical Chemistry ISBN: 0367380323 ISBN-13(EAN): 9780367380328 Издательство: Taylor&Francis Рейтинг: Цена: 61240.00 T Наличие на складе: Невозможна поставка. Описание:
Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on the structure and reactivity of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict electronic structure and chemical reactivity.
This book covers a wide range of subjects, including discussions on the following topics:
DFT, particularly the functional and conceptual aspects
Excited states, molecular electrostatic potentials, and intermolecular interactions
General theoretical aspects and application to molecules
Clusters and solids, electronic stress, and electron affinity difference
The information theory and the virial theorem
New periodic tables
The role of the ionization potential
Although most of the chapters are written at a level that is accessible to a senior graduate student, experienced researchers will also find interesting new insights in these experts' perspectives. This comprehensive book provides an invaluable resource toward understanding the whole gamut of atoms, molecules, and clusters.
Автор: Ghosh, Swapan Kumar Название: Concepts and Methods in Modern Theoretical Chemistry ISBN: 1466506202 ISBN-13(EAN): 9781466506206 Издательство: Taylor&Francis Рейтинг: Цена: 183750.00 T Наличие на складе: Есть у поставщика Поставка под заказ.
Автор: Nakamura Hiroki Название: Nonadiabatic Transition: Concepts, Basic Theories And Applications (2Nd Edition) ISBN: 9814329770 ISBN-13(EAN): 9789814329774 Издательство: World Scientific Publishing Рейтинг: Цена: 174240.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology. This edition includes chapters that are updated to facilitate enhanced understanding of the concept and applications.
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: Fedor Valach; Jan Ondracek; Milan Melnik Название: Crystallographic Statistics in Chemical Physics ISBN: 366201601X ISBN-13(EAN): 9783662016015 Издательство: Springer Рейтинг: Цена: 87070.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This book introduces the concept of crystallographic non-rigidity and asymmetry of the transition elements as centralatoms organometallic compounds.
Автор: Kunal Roy; Supratik Kar; Rudra Narayan Das Название: A Primer on QSAR/QSPR Modeling ISBN: 3319172808 ISBN-13(EAN): 9783319172804 Издательство: Springer Рейтинг: Цена: 51230.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.
Казахстан, 010000 г. Астана, проспект Туран 43/5, НП2 (офис 2) ТОО "Логобук" Тел:+7 707 857-29-98 ,+7(7172) 65-23-70 www.logobook.kz
