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QUANTUM & THEORETICAL CHEMISTRY
Available
Quantum Chemistry
Quantum Chemistry
    Includes a presentation
    of a qualitative theory
    of chemical bonding
    stressing the physical
    processes which occur on
    bond formation. This
    title does not seek to
    rationalize the phenomena
    of bonding by a series of
    mnemonic rules. It
    presents a unified and
    consistent treatment
    across all types of
    bonding in organic,
    inorganic and physical
    chemistry.
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£41.65
Available
Progress in Quantum Chemistry Research
Progress In Quantum Chemistry
Research
    Quantum chemistry 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. This book
    presents the important
    research from around the
    world in quantum
    chemistry.
Availability: In Stock
£96.75
Available
Reaction Dynamics
Reaction Dynamics
    Understanding the factors
    which determine the rates
    and products of
    elementary reactions is
    of fundamental importance
    to chemists. This book
    contains an introductory
    account of the
    theoretical framework and
    experimental methods used
    to elucidate the detailed
    mechanism of gas phase
    elementary reactions.
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£12.34
Available
High Performance Computing on Vector Systems
High Performance Computing On
Vector Systems
    Presents the developments
    in high-performance
    computing and simulation
    on modern supercomputer
    architectures. This book
    covers trends in hardware
    and software development
    in general and
    specifically the
    vector-based systems and
    heterogeneous
    architectures. It
    presents innovative
    fields like coupled
    multi-physics or
    multi-scale simulations.
Availability: In Stock
£61.20
Available
High Performance Computing in Science and Engineering
High Performance Computing In
Science And Engineering
    Presents the state of
    simulation using
    supercomputers. This book
    provides results achieved
    on systems of the
    Stuttgart High
    Performance Computing
    Center (HLRS) for the
    year 2008. It covers
    various fields of
    computational science and
    engineering, ranging
    from CFD and
    computational physics and
    chemistry to computer
    science.
Availability: In Stock
£76.49
Available
Computational Physics
Computational Physics
    Computational Physics
    introduces the basic
    numerical methods behind
    computational physics,
    providing computer
    experiments that
    demonstrate each
    algorithm. The simulation
    of classical and quantum
    systems is also included,
    with instructive
    examples spanning many
    fields in physics.
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£53.54
Available
Vibronic Interactions and the Jahn-Teller Effect
Vibronic Interactions And The
Jahn-Teller Effect
    This book discusses the
    Jahn-Teller effect and
    vibronic interactions,
    addressing such topics as
    complex topologies of
    Jahn-Teller effect and
    conical intersections;
    multi-state vibronic
    interactions on strongly
    coupled potential energy
    surfaces and more.
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£113.40
Available
Quantum Chemical, Spectroscopic and Structural Study of Hydrochlorides, Hydrogens Squarates and Ester Amides of Squaric Acid of Amina
Quantum Chemical,
Spectroscopic And Structural
Study Of Hydrochlorides,
Hydrogens Squarates And Ester
Amides Of Squaric Acid Of
Amina
    The interest to amino
    acid amides arises from
    their biological
    important role. Some C-
    nGBP-amidated amino acids
    Ile, Val, Thr, Ser,
    Met, Trp, Gln and Arg
    have been studied by
    single crystal X-ray
    diffraction. The most
    C-GBP-amides are much
    more biologically active,
    comparing with the
    corresponding
    C-GBP-terminal free
    acids.
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£29.25
Available
Introduction to Quantum Theory and Atomic Structure
Introduction To Quantum Theory
And Atomic Structure
    This book presents an
    introduction to the
    quantum theory at a level
    appropriate to university
    students in chemistry.
    The required background
    in physics and
    mathematics is kept at a
    minimum, the emphasis
    being on the physical
    ideas and their
    application in chemistry,
    especially to atoms and
    to the periodic table of
    the elements.
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£11.69
Available
Computational Methods in Chemical Engineering with Maple
Computational Methods In
Chemical Engineering With
Maple
    Helps chemical and other
    engineers develop their
    skills for solving
    mathematical models using
    Maple. Maple's 'dsolve'
    is used to obtain
    solutions for many of
    these models. This title
    offers Maple worksheets
    on the Springer website
    for use by readers to
    solve the example
    problems in the book.
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£57.79
Available
The Quantumchemical Calculation of Flourine-Containing Oxidizers of the Differential Fuels
The Quantumchemical
Calculation Of
Flourine-Containing Oxidizers
Of The Differential Fuels
    Presents results of the
    analysis of results of
    the quantum-chemical
    semi-empirical and
    ab-initio calculations
    for different fuels. This
    title establishes the
    technique of theoretical
    estimation of the burn
    parameters of oxidisers
    of the differential fuels
    that may be used to look
    for more efficient
    non-pollution oxidisers.
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£96.75
Available
Computational Chemistry
Computational Chemistry
    This is the first
    textbook on Computational
    Chemistry to genuinely
    cover the basics. This
    corrected second edition
    contains new material
    which includes solvent
    effects, the treatment
    of singlet diradicals,
    and the fundamentals of
    computational chemistry.
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£122.40
Available
Time-dependent Density-functional Theory
Time-dependent
Density-functional Theory
    Time-dependent
    density-functional theory
    (TDDFT) is a quantum
    mechanical approach for
    the dynamical properties
    of electrons in matter.
    It's widely used in
    (bio)chemistry and
    physics to calculate
    molecular excitation
    energies and optical
    properties of materials.
    This is the first
    graduate-level text on
    the formal framework and
    applications of TDDFT.
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£45.00
Available
Multi-scale Quantum Models for Biocatalysis
Multi-scale Quantum Models For
Biocatalysis
    This book explores
    various molecular
    modelling techniques and
    their applications in
    providing an
    understanding of the
    detailed mechanisms at
    play during biocatalysis
    in enzyme and ribozyme
    systems. These areas are
    reviewed by an
    international team of
    experts.
Availability: In Stock
£260.95
Available
Coordination Chemistry
Coordination Chemistry
    Filling a gap in the
    literature, Coordination
    Chemistry will be the
    standard textbook for
    years to come. The
    author, a well-known and
    highly regarded scientist
    in the field, focuses on
    application and concepts,
    tailoring his approach
    to chemistry students at
    the senior undergraduate
    and graduate levels.
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£45.00
Available
Spectroscopy, Dynamics and Molecular Theory of Carbon Plasmas and Vapors
Spectroscopy, Dynamics And
Molecular Theory Of Carbon
Plasmas And Vapors
    Covers the science and
    technology of carbon
    plasmas and carbon
    vapors. Thsi book covers
    two strongly related
    fields: the molecular
    quantum theory of carbon
    plasmas and carbon
    nanostructures; and the
    molecular and atomic
    spectroscopy of such
    plasmas and vapors.
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£73.10
Available
Bohr and Quantum Theory
Bohr And Quantum Theory
    Niels Bohr's discoveries
    in quantum theory led to
    advances in physics and
    our understanding of
    atomic structure. His
    work won him the Nobel
    Prize in 1922 and his
    ideas continue to propel
    physics towards new
    discoveries. This title
    offers an account of the
    man who was both a part
    of The Manhattan Project
    but also an advocate of
    peace.
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£3.29
Available
Quantum Chemistry
Quantum Chemistry
    Emphasizing an
    understanding of the
    techniques and results of
    quantum chemistry, this
    book provides treatment
    of the simple systems
    basic to quantum
    chemistry. It includes
    numerous exercises to
    facilitate self-study and
    solutions to selected
    exercises. It presents
    group theory in a context
    of MO applications.
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£69.35
Available
Quantum Chemistry
Quantum Chemistry
    Covers proliferation of
    computational chemistry
    programs that calculate
    molecular properties.
    This book presents
    step-by-step SCF
    calculations of a helium
    atom and a hydrogen
    molecule, in addition to
    including an entire
    chapter on the
    Hartree-Fock method and
    post-Hartree-Fock methods
    for the calculation of
    molecular properties.
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£54.14
Available
Discovering Chemistry with Natural Bond Orbitals
Discovering Chemistry With
Natural Bond Orbitals
    This book explores
    chemical bonds, their
    intrinsic energies, and
    the corresponding
    dissociation energies
    which are relevant in
    reactivity problems. It
    offers the first book on
    conceptual quantum
    chemistry, a key area
    for understanding
    chemical principles and
    predicting chemical
    properties.
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£48.15
Available
Quantum Chemistry Research Trends
Quantum Chemistry Research
Trends
    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
    electronic behaviour of
    atoms and molecules as
    pertaining to their
    reactivity is one of the
    applications of quantum
    chemistry. This book
    presents the research in
    the field.
Availability: In Stock
£96.75
Available
The Theory of Intermolecular Forces
The Theory Of Intermolecular
Forces
    The theory of
    intermolecular forces has
    advanced very greatly in
    the last ten or 15 years.
    Improved experimental and
    computational methods
    have made it possible to
    develop more accurate
    descriptions, but these
    require advanced
    mathematical techniques
    which are fully described
    in this monograph.
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£57.00
Available
Entropies of Condensed Phases and Complex Systems
Entropies Of Condensed Phases
And Complex Systems
    This thesis presents a
    compact and coherent
    introduction of basic
    theoretical features,
    which provides a
    foundation for the
    development of approaches
    for calculation of
    condensed phase entropies
    on the basis of
    well-established quantum
    chemical methods.
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£76.50
Available
Quantum Dynamical Semigroups and Applications
Quantum Dynamical Semigroups
And Applications
    Reinvigorated by advances
    and insights the quantum
    theory of irreversible
    processes has attracted
    growing attention. This
    book introduces the very
    basic concepts of semi
    group dynamics of open
    quantum systems and
    reviews a variety of
    modern applications.
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£37.49
Available
Quantum Description of High-Resolution NMR in Liquids
Quantum Description Of
High-Resolution NMR In Liquids
    Describes the main
    methods of one-and
    two-dimensional
    high-resolution NMR
    spectroscopy in liquids
    within the
    quantum-mechanical
    formalism of the density
    matrix. It is
    particularly intended for
    those scientists who do
    not have a working
    knowledge of quantum
    calculations.
Availability: In Stock
£52.25
Available
Quantum Chemistry of Solids
Quantum Chemistry Of Solids
    A comprehensive account
    of the main features and
    possibilities of LCAO
    methods for the first
    principles calculations
    of electronic structure
    of periodic systems. It
    describes the basic
    theory underlying the
    LCAO methods applied to
    periodic systems and the
    use of
    wave-function-based,
    density-based (DFT) and
    hybrid hamiltonians.
Availability: In Stock
£111.38
Available
Scientific Computing with MATLAB and Octave
Scientific Computing With
MATLAB And Octave
    Making extensive use of
    Matlab and Octave, this
    textbook illustrates
    several numerical methods
    for the computer solution
    of certain classes of
    mathematical problems.
    The text includes some 70
    examples, 120 solved
    exercises and 35 Matlab
    and Octave programs.
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£38.24
Available
Quantum Mechanics
Quantum Mechanics
    Provides a toolkit for
    applying quantum
    mechanics to chemical
    problems, introducing
    advanced approaches using
    approximate methods. This
    book describes areas of
    chemistry where quantum
    mechanics is important,
    and shows how quantum
    mechanics can be applied
    to chemical problems.
Availability: In Stock
£12.34
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Quantum Mechanics
Quantum Mechanics
    Quantum mechanics is of
    central importance in
    chemistry. This book
    deals with the
    foundations of quantum
    mechanics and acts as a
    tool kit for applying
    quantum mechanics to
    chemical problems. It is
    an intermediate level
    text aimed at second and
    third year
    undergraduates.
Availability: In Stock
£12.34
Available
UV Spectroscopy
UV Spectroscopy
    Provides fundamentals of
    the interaction of light
    and matter and progresses
    through the laws of light
    absorption,
    instrumentation and
    standards to the
    chemometric techniques.
    This book includes
    chapters which cover
    colour, structural
    aspects of UV
    spectroscopy, detection
    in high performance
    liquid chromatography and
    flourescence.
Availability: In Stock
£95.00
Available
Density-functional Theory of Atoms and Molecules
Density-functional Theory Of
Atoms And Molecules
    Provides an account of
    the fundamental
    principles of the
    density-functional theory
    of the electronic
    structure of matter and
    its applications to atoms
    and molecules. This book
    contains a discussion of
    the chemical potential
    and its derivatives. It
    is intended for
    physicists, chemists,
    and advanced students in
    chemistry.
Availability: In Stock
£75.05
Available
Recent Advances in QSAR Studies
Recent Advances In QSAR
Studies
    This book presents an
    interdisciplinary
    overview on the most
    recent advances in QSAR
    studies. The first part
    consists of a
    comprehensive review of
    QSAR methodology. The
    second part highlights
    the interdisciplinary
    aspects and new areas of
    QSAR modelling.
Availability: In Stock
£308.55
Available
Unstable States in the Continuous Spectra. Analysis, Concepts, Methods and Results
Unstable States In The
Continuous Spectra. Analysis,
Concepts, Methods And Results
    Presents surveys of the
    developments in the field
    of quantum chemistry.
    This title includes
    articles, invited
    reviews and proceedings
    of major international
    conferences and
    workshops. It is written
    by some of the leading
    international researchers
    in quantum and
    theoretical chemistry. It
    highlights important
    interdisciplinary
    developments.
Availability: In Stock
£136.00
Available
Chemical Structure and Reactivity
Chemical Structure And
Reactivity
    Chemical Structure and
    Reactivity: an integrated
    approach rises to the
    challenge of depicting
    the reality of chemistry.
    Offering a fresh
    approach, it depicts the
    subject as a seamless
    discipline, showing how
    inorganic, organic and
    physical concepts can be
    blended together to
    achieve the common goal
    of understanding chemical
    systems.
Availability: In Stock
£35.99
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