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Hydroxyl group --- Hydroxyl group --- Reactivity. --- Reactivity.

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Basic Sciences. Chemistry --- Hydroxyl group. --- Organic Chemistry.

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Active oxygen in the body --- Antioxidants --- Central Nervous System --- Hydroxyl Radical --- Hydroxyl group --- Nervous system --- Neurons --- Nitric Oxide --- Nitric oxide --- Reactive Oxygen Species --- Congresses. --- metabolism --- congresses. --- physiology --- Physiological effect --- Pathophysiology --- drug effects --- Congresses --- Hydroxyl group - Physiological effect - Congresses. --- Active oxygen in the body - Congresses. --- Nervous system - Pathophysiology - Congresses --- Nitric oxide - Physiological effect - Congresses --- Hydroxyl group - Physiological effect - Congresses --- Active oxygen in the body - Congresses --- CENTRAL NERVOUS SYSTEM --- NITRIC OXIDE --- HYDROXYL RADICAL --- REACTIVE OXYGEN SPECIES --- ANTIOXIDANTS --- NEURONS --- PHYSIOLOGY --- METABOLISM --- DRUG EFFECTS

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Descriptive organic chemistry --- Hydroxyl group --- 547.593 --- 547.575 --- Group, Hydroxyl --- Hydroxyl radical --- Radicals (Chemistry) --- Hydrogenated benzene derivatives containing hydroxyl groups. Cyclohexanol. Napthenol --- Compounds containing both carbonyl and hydroxyl groups, in general --- Hydroxyl group. --- Basic Sciences. Chemistry --- Organic Chemistry --- Organic Chemistry. --- 547.575 Compounds containing both carbonyl and hydroxyl groups, in general --- 547.593 Hydrogenated benzene derivatives containing hydroxyl groups. Cyclohexanol. Napthenol

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Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has promoted the widespread penetration of quantum mechanics calculations into a variety of fields targeting the reactivity of molecules. This book presents a selection of original research papers and review articles illustrating diverse applications of quantum mechanics in the study of problems involving molecules and their reactivity.

Research & information: general --- Pyrophosphate --- electronic structure --- mechanical properties --- optical properties --- first-principles calculations --- chemical reactivity theory --- HSAB principle --- information theory --- quantum mechanics --- regional complementarity rule --- virial theorem --- free radical scavengers --- antioxidants --- fluoxetine --- depressive disorder --- major --- oxidative stress --- DFT calculations --- reactive oxygen species --- porphyrins, density functional theory --- DFT --- surfaces --- self-assembly --- scanning tunneling microscopy --- dispersion --- nanostructures --- solid state --- condensed phase --- [NiFeSe] hydrogenase --- quantum mechanics (QM)/molecular mechanics (MM), geometry optimizations --- vibrational frequency analyses --- Fourier transform infrared (FTIR) frequencies --- Quercetin molecule --- conformational mobility --- hydroxyl group --- transition state --- concerted rotation of the hydroxyl groups --- quantum-chemical calculations --- quantum technology --- chemical kinetics --- reaction rate --- RRKM theory --- master equation --- coordination complexes --- donor-acceptor systems --- partial electronic flows --- phase-current relations --- subsystem phases --- Pyrophosphate --- electronic structure --- mechanical properties --- optical properties --- first-principles calculations --- chemical reactivity theory --- HSAB principle --- information theory --- quantum mechanics --- regional complementarity rule --- virial theorem --- free radical scavengers --- antioxidants --- fluoxetine --- depressive disorder --- major --- oxidative stress --- DFT calculations --- reactive oxygen species --- porphyrins, density functional theory --- DFT --- surfaces --- self-assembly --- scanning tunneling microscopy --- dispersion --- nanostructures --- solid state --- condensed phase --- [NiFeSe] hydrogenase --- quantum mechanics (QM)/molecular mechanics (MM), geometry optimizations --- vibrational frequency analyses --- Fourier transform infrared (FTIR) frequencies --- Quercetin molecule --- conformational mobility --- hydroxyl group --- transition state --- concerted rotation of the hydroxyl groups --- quantum-chemical calculations --- quantum technology --- chemical kinetics --- reaction rate --- RRKM theory --- master equation --- coordination complexes --- donor-acceptor systems --- partial electronic flows --- phase-current relations --- subsystem phases