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Computational and Data-Driven Chemistry Using Artificial
Intelligence: Volume 1: Fundamentals, Methods and Applications
highlights fundamental knowledge and current developments in the
field, giving readers insight into how these tools can be harnessed
to enhance their own work. Offering the ability to process large or
complex data-sets, compare molecular characteristics and behaviors,
and help researchers design or identify new structures, Artificial
Intelligence (AI) holds huge potential to revolutionize the future
of chemistry. Volume 1 explores the fundamental knowledge and
current methods being used to apply AI across a whole host of
chemistry applications. Drawing on the knowledge of its expert team
of global contributors, the book offers fascinating insight into
this rapidly developing field and serves as a great resource for
all those interested in exploring the opportunities afforded by the
intersection of chemistry and AI in their own work. Part 1 provides
foundational information on AI in chemistry, with an introduction
to the field and guidance on database usage and statistical
analysis to help support newcomers to the field. Part 2 then goes
on to discuss approaches currently used to address problems in
broad areas such as computational and theoretical chemistry;
materials, synthetic and medicinal chemistry; crystallography,
analytical chemistry, and spectroscopy. Finally, potential future
trends in the field are discussed.
This book presents the current aspects of environmental issues in
view of chemical processes particularly with respect to two facets:
social sciences along with chemistry and natural sciences. The
former facet explores the environmental economics and policies
along with chemical engineering or green chemistry and the latter
the various fields of environmental studies. The book was
conceptualized in the form of e-learning content, such as
PowerPoint presentation, with explanatory notes to a new style of
lectures on environmental science in a university at undergraduate
level. Each chapter of the book comprises a summary of the contents
of the chapter; a list of specific terms and their explanation;
topics that can be taken up for discussion among college students,
mainly freshmen in liberal arts, and for enhancing general
knowledge; and problems and solutions using active learning
methods.
This book presents current research in the study of the types, uses
and safety of magnets from across the globe. Topics discussed
include magnetic spectrometry in nuclear physics; chiroptical
interpretation of magnetic dipole transitions; the study of the
effects of magnetic fields on cell cultures; critical sound
propagation in magnets and nuclear magnetic resonance as a probe of
spin dynamics in single molecule magnets.
This book presents current research in the study of photofunctional
hybrid materials having potential applications for current issues
relating to energy and the environment. Topics discussed include:
biomass energy, waste management, structural biology of protein for
energy-conversion (photosynthesis), nano-biophysics
(microorganisms), and organic/inorganic hybrid materials of metal
oxide and porphyrin. In addition, developing ideas or examples as
components for hybrid functional materials aiming at such
applications are also included: metal oxide photocatalysts and
bioinorganic amio-acid complexes, multi-component (photoinduced
electron-transfer and photochromism) organic/inorganic hybrid
materials, phototunable fluorescence hybrid systems for sensing,
and metal complexes exhibiting long-life emission.
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