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  • Single Molecular Machines and Motors

    Single Molecular Machines and Motors

    Inbunden - 2015 - Engelska - ISBN: 9783319138718

    Single Molecular Machines and Motors brings together different approaches and strategies to design, synthesize and study single molecular machines and motors in a multidisciplinary way. Written by leading international experts, this book summarizes…

  • Polyoxometalate Molecular Science

    Polyoxometalate Molecular Science

    Häftad - 2003 - Engelska - ISBN: 9781402012426

    Polyoxometalates (POMs) form a large, distinctive class of molecular inorganic compounds of unrivaled electronic versatility and structural variation, with impacts ranging from chemistry, catalysis, and materials science to biology, and medicine. Th…

  • Mathematik in der Chemie

    Mathematik in der Chemie
    av K. Jug

    Häftad - 1993 - Tyska - ISBN: 9783540557715

    Karl Jug hat dieses Buch fur Chemiestudenten nach dem Diplomvorexamen geschrieben. Es baut auf die Grundvorlesung "Mathematik fur Chemiker" auf. Das Interesse an mathematischen Methoden ist seit Erscheinen der ersten Auflage nicht nur in der Technis…

  • Recognition of Anions

    Recognition of Anions

    Inbunden - 2008 - Engelska - ISBN: 9783540790914

    A large number of biologically relevant species are negatively charged, the- fore it is not surprising that nature has developed sophisticated receptors to recognise, detect and transformanions. For example, complex receptors such as phosphate- and…

  • The Third Dimension

    The Third Dimension

    Pocket - 2002 - Engelska - ISBN: 9780854046607

    The three-dimensional aspects of molecular shape can be crucial to both properties and reactions. The Third Dimension explores the arrangements of atoms in molecules and in different types of solids. Initial chapters describe the common crystal stru…

  • Distance, Symmetry, and Topology in Carbon Nanomaterials

    Distance, Symmetry, and Topology in Carbon Nanomaterials

    Inbunden - 2016 - Engelska - ISBN: 9783319315829

    This contributed volume is inspired by the seminal discovery and identification of C60. Starting with a comprehensive discussion featuring graphene based nanostructures, subsequent chapters include topological descriptions of matrices, polynomials a…

  • Molecular Simulation of Fluids

    Molecular Simulation of Fluids
    av Sadus

    Häftad - 2022 - Engelska - ISBN: 9780323853989

    Molecular Simulation of Fluids: Theory, Algorithms and Object-Orientation, Second Edition explores novel developments in theory, algorithms and computer hardware that have generated enormous growth in simulation capabilities. This new edition has be…

  • Computer Simulation of Biomolecular Systems

    Computer Simulation of Biomolecular Systems

    Häftad - 2010 - Engelska - ISBN: 9789048185283

    The third volume in the series on Computer Simulation of Biomolecular Systems continues with the format introduced in the first volume [1] and elaborated in the second volume [2]. The primary emphasis is on the methodological aspects of simulations,…

  • The Notion of Activity in Chemistry

    The Notion of Activity in Chemistry
    av Jean-Louis Burgot

    Inbunden - 2016 - Engelska - ISBN: 9783319463995

    This book provides deep insight into the physical quantity known as chemical activity. The author probes deep into classical thermodynamics in Part I, and then into statistical thermodynamics in Part II, to provide the necessary background. The trea…

  • Supramolecular Science

    Supramolecular Science

    Häftad - 2012 - Engelska - ISBN: 9789401059336

    A summary of all the most important aspects of supramolecular science, from molecular recognition in chemical and biological systems to supramolecular devices, materials and catalysis. The 17 chapters cover calixarenes, catenanes, cavitands, choloph…

  • Magnetism and the Electronic Structure of Crystals

    Magnetism and the Electronic Structure of Crystals
    av Vladimir A. Gubanov

    Häftad - 2011 - Engelska - ISBN: 9783642844133

    The quantum theory of magnetism is a well-developed part of contemporary solid-state physics. The basic concepts of this theory can be used to describe such important effects as ferromagnetic ordering oflocalized magnetic moments in crystals and fer…

  • Reaction Dynamics

    Reaction Dynamics
    av M. Brouard

    Häftad - 1998 - Engelska - ISBN: 9780198559078

    Understanding the factors which determine the rates and products of elementary reactions is of fundamental importance to chemists. This book provides a concise account of the dynamics and kinetics of elementary reactions in the gas phase, and is str…

  • Quantum Systems in Chemistry and Physics

    Quantum Systems in Chemistry and Physics

    Inbunden - 2000 - Engelska - ISBN: 9780792359708

    These two volumes collect forty-four selected papers from the scientific contributions presented at the Third European Workshop on Quantum Systems in Chemistry and Physics, held in Granada (Spain), April 19–22, 1998. Ninety-nine scientists fro…

  • Quantum Systems in Chemistry and Physics

    Quantum Systems in Chemistry and Physics

    Inbunden - 2000 - Engelska - ISBN: 9780792359692

    These two volumes together comprise forty papers coming from the most outstanding contributions to the third European Quantum Systems in Chemistry and Physics Workshop held in Granada, Spain (1997). These books cover a very broad spectrum of scienti…

  • Ionic Liquid Bulk and Interface Properties

    Ionic Liquid Bulk and Interface Properties
    av Till Cremer

    Inbunden - 2013 - Engelska - ISBN: 9783319003795

    In this thesis, Till Cremer investigates the bulk properties of ionic liquids (IL), the IL/vacuum interface and the IL/solid interface. For these studies the author primarily uses angle-resolved X-ray photoelectron spectroscopy under ultrahigh vacuu…

  • Ionic Liquid Bulk and Interface Properties

    Ionic Liquid Bulk and Interface Properties
    av Till Cremer

    Häftad - 2015 - Engelska - ISBN: 9783319033457

    In this thesis, Till Cremer investigates the bulk properties of ionic liquids (IL), the IL/vacuum interface and the IL/solid interface. For these studies the author primarily uses angle-resolved X-ray photoelectron spectroscopy under ultrahigh vacuu…

  • Computational Methods for Estimating the Kinetic Parameters of Biological Systems

    Computational Methods for Estimating the Kinetic Parameters of Biological Systems

    Inbunden - 2022 - Engelska - ISBN: 9781071617663

    This detailed book provides an overview of various classes of computational techniques, including machine learning techniques, commonly used for evaluating kinetic parameters of biological systems. Focusing on three distinct situations, the volume c…

  • Hypervirial Theorems

    Hypervirial Theorems
    av Francisco M. Fernandez

    Häftad - 1987 - Engelska - ISBN: 9783540171706

  • Transport, Relaxation, and Kinetic Processes in Electrolyte Solutions

    Transport, Relaxation, and Kinetic Processes in Electrolyte Solutions
    av Pierre Turq

    Häftad - 1992 - Engelska - ISBN: 9783540550020

    The presence of freely moving charges gives peculiar properties to electrolyte solutions, such as electric conductance, charge transfer, and junction potentials in electrochemical systems. These charges play a dominant role in transport processes, b…

  • Theoretical Femtosecond Physics

    Theoretical Femtosecond Physics
    av Frank Grossmann

    Inbunden - 2013 - Engelska - ISBN: 9783319006055

    Theoretical investigations of atoms and molecules interacting with pulsed or continuous wave lasers up to atomic field strengths on the order of 10^16 W/cm² are leading to an understanding of many challenging experimental discoveries. This book deal…

  • Messtechnik mit dem Personal Computer

    Messtechnik mit dem Personal Computer

    Häftad - 1993 - Tyska - ISBN: 9783540560883

    Personal Computer (PC) werden immer h{ufiger als "Arbeitsplatzcomputer" auchin technischen Bereichen eingesetzt. Ihre Verwendung in Labor, Versuchs- undPr}ffeld st|~t jedoch auf Schwierigkeiten oder f}hrt gar zu Fehlschl{gen, weil M|glichkeiten und…

  • Vincenzo Barone

    Vincenzo Barone

    Häftad - 2016 - Engelska - ISBN: 9783662523285

    In this Festschrift dedicated to the 60th birthday of V. Barone, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these…

  • Graph Theoretical Approaches to Chemical Reactivity

    Graph Theoretical Approaches to Chemical Reactivity

    Inbunden - 1994 - Engelska - ISBN: 9780792328377

    The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to structure and interactions of chemical compounds. However, the qualitative models relating el…

  • Fundamental World of Quantum Chemistry

    Fundamental World of Quantum Chemistry

    Inbunden - 2004 - Engelska - ISBN: 9781402025839

    Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of the conceptual framework of Quantum Chemistry and introduction of the fundamental concepts…

  • Rare-Earths and Actinides in High Energy Spectroscopy

    Rare-Earths and Actinides in High Energy Spectroscopy
    av Christiane Bonnelle

    Häftad - 2018 - Engelska - ISBN: 9789402413151

    This unique monograph covers recent theoretical and experimental results on the complex character of f electrons in materials containing lanthanides (rare earths) or actinides, such as alpha-cerium and delta-plutonium. It answers the urgent need for…

  • The Diffuse Interface Approach in Materials Science

    The Diffuse Interface Approach in Materials Science
    av Heike Emmerich

    Häftad - 2011 - Engelska - ISBN: 9783642055836

    Many inhomogeneous systems involve domains of well-de?ned phases se- rated by a distinct interface. If they are driven out of equilibrium one phase will grow at the cost of the other. Examples are phase separation by sp- odal decomposition or nuclea…

  • Thermodynamik

    Thermodynamik
    av Peter Stephan

    Pocket - 2013 - Tyska - ISBN: 9783642300974

    In Band 1 des zweiteiligen Grundlagenwerks zur Thermodynamik wird die Theorie systematisch entwickelt. Bilanzen und allgemein gultige Zusammenhange zwischen thermodynamischen Zustandsgroessen werden zunachst fur beliebige thermodynamische Systeme ab…

  • Chemical Reactions in Clusters

    Chemical Reactions in Clusters

    Inbunden - 1996 - Engelska - ISBN: 9780195090048

    Over the last five years there have been important developments in the area of cluster chemistry. This book is targeted at those working in the laboratory as well as theoretical researchers who need to be brought completely up-to-date with these rec…

  • Fluid Transport in Nanoporous Materials

    Fluid Transport in Nanoporous Materials

    Inbunden - 2006 - Engelska - ISBN: 9781402043789

    The last several years have seen a dramatic increase in the synthesis of new nanoporous materials. The most promising include molecular sieves which are being developed as inorganic or polymeric systems with 0. 3-30nm in pore dimensions. These nanop…

  • Fluid Transport in Nanoporous Materials

    Fluid Transport in Nanoporous Materials

    Häftad - 2006 - Engelska - ISBN: 9781402043802

    The last several years have seen a dramatic increase in the synthesis of new nanoporous materials. The most promising include molecular sieves which are being developed as inorganic or polymeric systems with 0. 3-30nm in pore dimensions. These nanop…

  • Many-Body Methods for Atoms, Molecules and Clusters

    Many-Body Methods for Atoms, Molecules and Clusters
    av Jochen Schirmer

    Häftad - 2018 - Engelska - ISBN: 9783030066918

    This book provides an introduction to many-body methods for applications in quantum chemistry. These methods, originating in field-theory, offer an alternative to conventional quantum-chemical approaches to the treatment of the many-electron problem…

  • Machine Learning Meets Quantum Physics

    Machine Learning Meets Quantum Physics

    Häftad - 2020 - Engelska - ISBN: 9783030402440

    Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electr…

  • Atomkerne Und Elektronen

    Atomkerne Und Elektronen
    av Heinzwerner Preuss

    Inbunden - 2000 - Tyska - ISBN: 9783540670490

    Systeme aus Elektronen und Atomkemen sind sehr komplexe Systeme. Das mag zuerst verwundem, da zwischen den Teilchen reine Coulomb-Wechsel- wirkungen vorliegen, man vergiBt aber oft dabei, daB ein wei teres - bisher unverstandenes - Naturgesetz (das…

  • Quantum Tunnelling in Enzyme-Catalysed Reactions

    Quantum Tunnelling in Enzyme-Catalysed Reactions

    Häftad - 2009 - Engelska - ISBN: 9780854041220

    In recent years, there has been an explosion in knowledge and research associated with the field of enzyme catalysis and H-tunneling. Rich in its breath and depth, this introduction to modern theories and methods of study is suitable for experienced…

  • Thermodynamik in der Mineralogie

    Thermodynamik in der Mineralogie
    av Ladislav Cemic

    Häftad - 1988 - Tyska - ISBN: 9783540187172

    Die Bedeutung der Thermodynamik als Mittel zur Interpretation von Beobachtungen an natOrlichen Vorkommen und an synthetischen Proben aus dem Laboratorium kann nicht hoch genug eingeschatzt werden. Experimentelle Ergebnisse mit ihrem Modell- charakte…

  • Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules

    Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules

    Inbunden - 1989 - Engelska - ISBN: 9780792301707

    Quantum mechanical calculations in physics, chemistry and biology are widely recognized as useful interpretative and predictive tools. Unfortunately, they are plagued by unfavorable convergence limitations due to the use of finite linear combination…

  • Computational Physics

    Computational Physics
    av Philipp Scherer

    Inbunden - 2013 - Engelska - ISBN: 9783319004006

    This textbook presents basic and advanced computational physics in a very didactic style. It contains very-well-presented and simple mathematical descriptions of many of the most important algorithms used in computational physics. The first part of…

  • The Fundamentals of Atomic and Molecular Physics

    The Fundamentals of Atomic and Molecular Physics
    av Robert L Brooks

    Häftad - 2013 - Engelska - ISBN: 9781461466772

    The Fundamentals of Atomic and Molecular Physics is intended as an introduction to the field for advanced undergraduates who have taken quantum mechanics. Each chapter builds upon the previous, using the same tools and methods throughout. As the stu…

  • Accurate Molecular Structures

    Accurate Molecular Structures

    Inbunden - 1992 - Engelska - ISBN: 9780198555568

    Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an ångström and a few tenths of a degree. Such precisions are meaningful only if they are coupled with rigoro…

  • Unified Valence Bond Theory of Electronic Structure

    Unified Valence Bond Theory of Electronic Structure
    av N. D. Epiotis

    Häftad - 1983 - Engelska - ISBN: 9783540120001

    The bond diagrammatic representation of molecules is the foundation of MOVB theory. To a certain extent, this kind of representation is analogous to the one on which "resonance theory" is based and this fact can be projected by a comparison of the v…

  • Exponential Fitting

    Exponential Fitting
    av Liviu Gr. Ixaru

    Inbunden - 2004 - Engelska - ISBN: 9781402020995

    Exponential Fitting is a procedure for an efficient numerical approach of functions consisting of weighted sums of exponential, trigonometric or hyperbolic functions with slowly varying weight functions. This book is the first one devoted to this su…

  • Perspectives on Theoretical Chemistry

    Perspectives on Theoretical Chemistry

    Häftad - 2014 - Engelska - ISBN: 9783642442490

    On the occasion of the 50th anniversary of the journal Theoretical Chemistry Accounts, leading researchers in theoretical chemistry present current and forward-looking perspectives on major developments in the field. Originally published in the jour…

  • Perspectives on Theoretical Chemistry

    Perspectives on Theoretical Chemistry

    Inbunden - 2012 - Engelska - ISBN: 9783642284441

    On the occasion of the 50th anniversary of the journal Theoretical Chemistry Accounts, leading researchers in theoretical chemistry present current and forward-looking perspectives on major developments in the field. Originally published in the jour…

  • Grundlagen der Elektronenspektroskopie

    Grundlagen der Elektronenspektroskopie
    av Hermann Rau

    Häftad - 2015 - Tyska - ISBN: 9783527339037

    Quantenmechanische Aspekte der Erzeugung und Deaktivierung angeregter Elektronenzustände stellen die theoretische Grundlage der Elektronenspektroskopie dar. Ausgehend vom Experiment wird zunächst die Beschreibung von Molekülzuständen durch Welle…

  • 21st Century Challenges in Chemical Crystallography II

    21st Century Challenges in Chemical Crystallography II

    Inbunden - 2021 - Engelska - ISBN: 9783030647469

    This volume summarises recent developments and highlights new techniques which will define possible future directions for small molecule X-ray crystallography. It provides an insight into how specific aspects of crystallography are developing and sh…

  • The Power and Promise of Early Research

    The Power and Promise of Early Research

    Inbunden - 2018 - Engelska - ISBN: 9780841231733

    Undergraduate research is a uniquely American invention. The ability to enter a laboratory and to embrace the unknown world, where a discovery is just around the corner, is a transformative experience. Undergraduate research, when done right, create…

  • Energy Density Functional Theory of Many-Electron Systems

    Energy Density Functional Theory of Many-Electron Systems
    av Eugene S. Kryachko

    Inbunden - 1990 - Engelska - ISBN: 9780792306412

    I would like to present to a wide circle of the readers working in quantum chem- istry and solid-state physics, as ,,*ell as in other fields of many-body physics and its interfaces, this book deyoted to density functional theory written by my collea…

  • The Real Structure of High-Tc Superconductors

    The Real Structure of High-Tc Superconductors

    Häftad - 2011 - Engelska - ISBN: 9783642781391

    In this text experts review experimental studies that directly reveal the relationship between the atomic structure and physical behavior of high-Tc superconductors. The thorough discussion centers on twins, twin boundaries, the vortex lattice, and…

  • Computational Methods In Quantum Chemistry, Volume 2: Quantum Chemistry

    Computational Methods In Quantum Chemistry, Volume 2: Quantum Chemistry
    av Myron W Evans

    Inbunden - 1996 - Engelska - ISBN: 9789810226114

    This book provides a comprehensive account, from first principles, of the methods of numerical quantum mechanics, beginning with formulations and fundamental postulates. The development continues with that of the Hamiltonian and angular momentum ope…

  • Emulsion-based Free-Radical Retrograde-Precipitation Polymerization

    Emulsion-based Free-Radical Retrograde-Precipitation Polymerization
    av Gerard Caneba

    Häftad - 2014 - Engelska - ISBN: 9783642447914

    This monograph is a follow-up material to the first FRRPP book by Gerard Caneba in 2009. It includes additional conceptual results, implementation of the FRRPP process in emulsion media to produce various block copolymers, and other FRRPP-related su…

  • Aquatic Humic Substances

    Aquatic Humic Substances

    Inbunden - 1999 - Engelska - ISBN: 9780841214286

    Here is a cohesive compilation of recent research results into the many aspects of water purification. Major sections cover the characterization and environmental impact of aquatic humic substances, their reactions in natural water and sediments, an…

  • New Horizons in Density Functional Theory

    New Horizons in Density Functional Theory

    Häftad - 2021 - Engelska - ISBN: 9781788019132

    Density functional theory (DFT) is today’s most widely used method for practical computational electronic structure calculations across chemistry, physics and materials science. It is not only the first choice for running simulations, but it h…

  • Carbohydrate-Based Interactions at the Molecular and the Cellular Level

    Carbohydrate-Based Interactions at the Molecular and the Cellular Level
    av Kieran L. Hudson

    Inbunden - 2018 - Engelska - ISBN: 9783319777054

    This book offers a clearly written and highly accessible account of two different aspects of carbohydrate chemistry. Carbohydrates are an essential component of life and have many important biological functions, but the details of how carbohydrates…

  • Theoretical and Quantum Chemistry at the Dawn of the 21st Century

    Theoretical and Quantum Chemistry at the Dawn of the 21st Century

    Inbunden - 2018 - Engelska - ISBN: 9781771886826

    This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich…

  • Theoretical and Quantum Chemistry at the Dawn of the 21st Century

    Theoretical and Quantum Chemistry at the Dawn of the 21st Century

    Häftad - 2021 - Engelska - ISBN: 9781774631645

    This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich…