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    QUANTUM CHEMISTRY
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    814717

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    Quantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models and experiments of chemical systems. It is also called molecular quantum mechanics. The text Quantum Chemistry presents the theoretical foundations and innovative applications in quantum chemistry. In first chapter describes a scalable method which allows for the application of the quantum adiabatic algorithm to a programmable physical system encoding the molecular electronic Hamiltonian. Second chapter, we report molecular structures and properties obtained from quantum chemistry calculations for the first 134k molecules of the chemical universe GDB-17 data base11, covering a molecular property set of unprecedented size and consistency. Third chapter presents an efficient toolkit for solving quantum chemistry problems based on the state-of-the-art in trapped-ion technologies. Enzyme design principles through computation from molecular phylogenetics to quantum chemistry have been proposed in fourth chapter. The theory of triple magnetopolarons in quantum-dimensional nanostructures has been introduced in fifth chapter. Adsorption, thermodynamic and quantum chemical studies of 1-hexyl-3-methylimidazolium based ionic liquids as corrosion inhibitors for mild steel in HCL have been discussed in sixth chapter. In seventh chapter, we explore the development of an impedimetric fumonisin immunosensor prepared on an electrochemical synthesized PdTe quantum dots–polymer–multi wall carbon nanotubes platform. Eighth chapter presents the intramolecular Diels-Alder reaction of diarylheptanoids. Correlation functions in open quantum-classical systems have been discussed in ninth chapter. Adsorption and quantum chemical studies on the inhibition potentials of some thiosemicarbazides for the corrosion of mild steel in acidic medium have been presented in tenth chapter. Eleventh chapter discusses the design of sensitive and selective nanoprobes, ranging from the ty
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    ISBN9781682501719
    Pré vendaNão
    Peso246g
    Livro disponível - pronta entregaNão
    IdiomaInglês
    Tipo itemLIVRO IMPORTADO ADQ MERC INTERNO
    Número de páginas220
    Número da edição1ª EDIÇÃO - 2016
    Código Interno814717
    Código de barras9781682501719
    AcabamentoHARDCOVER
    AutorBABBUSH, RYAN | LOVE, PETER J.
    EditoraMAGNUM PUBLISHING
    Sob encomendaSim

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