Einf�hrung in Die Physikalische Chemie (de Gruyter Studium)
by Michael Springborg
Quantum Field Theory: An Introduction For Chemical Physicists
by Richard N Porter
This introduction to quantum field theory (QFT) is written by a physical chemist for physical chemists, chemical physicists, and other non-physicists with knowledge of quantum theory but who want to explore ways in which they might use the power of QFT in their investigations. This book starts where many graduate courses in quantum theory that are offered to chemistry students leave off and first develops some of the necessary tools, such as Fock algebra, which is applied to solving the quantum...
This book is an account of current developments in computational chemistry, a new multidisciplinary area of research. Experts in computational chemistry, the editors use and develop techniques for computer-assisted molecular design. The core of the text itself deals with techniques for computer-assisted molecular design. The book is suitable for both beginners and experts. In addition, protocols and software for molecular recognition and the relationship between structure and biological activ...
Main Group Molecules (De Gruyter Textbook)
by Risto S Laitinen and Tapani Pakkanen
How do atoms bond to form molecules and how do molecules interact with each other? This book aims to explain the nature of chemical bonding and its impact on the structure, properties and reactivity of compounds. After an introductory part, outlining the theoretical framework of chemical bonding, the book gives a thorough overview of different bonding types and intermolecular forces as well as experimental and computational tools to study them.
Quantitative Rechenverfahren der Theoretischen Chemie (Essentials)
by Daniel Puschner
Daniel Püschner stellt sowohl grundlegende Methoden der Computerchemie als auch heute genutzte moderne Methoden wie Coupled Cluster und die Dichtefunktionaltheorie vor. Mithilfe der Wellenfunktionstheorie wird in diesem essential gezeigt, wie die Energie eines Systems berechnet werden kann. Anschließend geht der Autor auf die Probleme der behandelten Methoden ein und zeigt, wie diese systematisch behoben werden können. Insbesondere in der Forschung ist die Computerchemie heutzutage nicht mehr we...
A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experim...
HEXANOTE Hexagonal Grap Notebook Oraganic Chemistry
by Vanessa G Hoover
The work in your hand contains three main chapters, covering the chemistry of the condensed phase in the atmosphere, first, the different forms of atmospheric waters (precipitation, fog and clouds, dew), and secondly dust, now mostly termed particulate matter and, more scientifically, atmospheric aerosol. A third section treats the gases in the atmosphere. An introductory chapter covers the roots of the term atmospheric chemistry in its relations to chemistry in general and biogeochemistry as th...
Metal-organic Framework Membranes For Molecular Gas Separations (Series On Chemical Engineering, #6)
by Moises A Carreon and Surendar R Venna
This unique compendium describes research progress on metal-organic framework (MOF) membranes for different relevant industrial gas separations. Specifically, the book focuses mainly on gas separations which are important in flue gas treatment, natural gas purification, hydrogen purification, and nuclear reprocessing. The advantages of using MOFs in mixed matrix membranes are discussed. Some of the pressing challenges in the field, and strategies to potentially overcome them are also distinctly...
[Set Chemical Sciences in the Focus, vol. 1-3]
Whenever systems are governed by continuous chains of causes and effects, their behavior exhibits the consequences of dynamical symmetries, many of them far from obvious. Dynamical Symmetry introduces the reader to Sophus Lie's discoveries of the connections between differential equations and continuous groups that underlie this observation. It develops and applies the mathematical relations between dynamics and geometry that result. Systematic methods for uncovering dynamical symmetries are des...
Quantum Crystallography
Quantum Crystallography is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. The current book describes quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers DFT, Clinton equations, KEM and QTAIM methods and their applications in crystallographic studies.
Chemistry For University Students, Volume 3 (Volume, #3)
by H C Ananda Murthy and Said a H Vuai
In this textbook, the author teaches readers how to model and simulate a unit process operation through developing mathematical model equations, solving model equations manually, and comparing results with those simulated through software. It covers both lumped parameter systems and distributed parameter systems, as well as using MATLAB and Simulink to solve the system model equations for both. Simplified partial differential equations are solved using COMSOL, an effective tool to solve PDE, usi...
Vol. 2 of Chemoinformatics of Natural Products introduces the reader to the currently available tools for structure elucidation, drug property prediction, natural product databases, lead identification, metabolite biosynthesis, etc. Selected case studies are discussed.
Understanding of reaction mechanisms is very important for a chemist since it helps to plan and carry our reactions in a controlled manner. This textbook explains how to elucidate reaction mechanisms employing theoretical and instrumental methods and what practical knowledge they bring. The book covers a full spectrum of techniques, including spectroscopic studies, isotope effects, kinetics, trapping methods and computational approaches.