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For the theoretical and experimental chemist, this book provides a broad and conceptual perspective of the quantum tunnelling effect applied to the reactivity of molecules.

Tunneling (Physics) --- Quantum chemistry.

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For academic researchers, postdocs, graduate and undergraduate students, "Quantum Chemistry and Dynamics of Excited States : Methods and Applications" reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry.An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems.

Quantum chemistry. --- Excited state chemistry. --- Chimie quantique --- Chimie des états excités --- Chimie des états excités

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Molecular structure --- Molecules --- Quantum chemistry --- Computer simulation --- Models --- Data processing --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Structure, Molecular --- Chemical structure --- Structural bioinformatics

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Catalysis. --- Rhodium catalysts. --- Chemical bonds. --- Organorhodium compounds. --- Rhodium organic compounds --- Organotransition metal compounds --- Rhodium compounds --- Bonds, Chemical --- Chemical structure --- Chemistry, Physical and theoretical --- Overlap integral --- Quantum chemistry --- Valence (Theoretical chemistry) --- Platinum group catalysts --- Activation (Chemistry) --- Surface chemistry

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Boron, a metalloid with rich chemistry, continues to offer a diverse platform in designing novel catalysts and materials for applications in a variety of areas. This book, while celebrating Professor Todd Marder’s contributions to boron chemistry, on the occasion of his 65th birthday in November 2020, highlights and brings into focus some of the important discoveries in this field, through state-of-the-art reviews and research articles

Technology: general issues --- 1,1,1-tri(boryl)alkanes --- 1,2,3-tri(boryl)alkanes --- 1,1,2-tri(boryl)alkanes --- 1,1,2-tri(boryl)alkenes --- synthetic approaches --- synthetic applications --- dicarbollide --- ruthenium --- metallodrug --- kinase inhibitor --- closo-o-carborane --- nido-o-carborane --- intramolecular charge transfer --- deboronation --- color change --- boron --- π-conjugated materials --- opto-electronics --- tetracoordinated --- m-carborane --- electrophilic substitution --- coupling reaction --- organic branches --- Hirshfield Study --- 1,4-bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes --- salt-free reduction --- rotational barrier --- B=N bond --- immobilization of antibodies --- IL-10 --- magnetic nanoparticles --- pre-concentration of antigens --- saliva matrix --- TNF-α --- fluorosulfanyl group --- fluorinated ligands --- phosphines --- rhodium --- iridium --- conjugated hydrocarbon --- isoelectronic molecule --- electronic structure --- quantum chemistry --- singlet-triplet gap --- n/a