e-book

Methodologies and applications for chemoinformatics and chemical engineering

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Methodologies and Applications for Chemoinformatics and Chemical Engineering is aimed at providing
comprehensive coverage on the latest developments of research in the ever-expanding area of theoretical
and computational chemistry and their applications to broad scientific fields spanning physics, chemistry,
biology, materials, and so on. A common misconception about Chemoinformatics is that it is difficult;
it is not. It requires effort and dedication, focus and insight, like any other discipline, but its fascinating nature and findings can be explained easily.

Where does this come from then? The reasons are probably two: the first is counter-intuitiveness.
The world at the quantistic level has strange, unusual rules, mainly due to its probabilistic nature and the
fact that the world we appreciate with our senses focuses on a completely different scale.
The second reason is the tight bond between the language of chemistry and the language of computers.
To properly convey the formal message and explore the facts, understanding of a proper computational
framework is fundamental. However, to explain the specific meaning of the findings does not require
complex mathematics: a clear explanation of the meaning of pages of convoluted equations is possible,
just seldom found.

The aim is to provide both a rigorous view and a more practical, understandable view of methodologies
and applications for chemoinformatics and chemical engineering in parallel. Although its aim is
not divulgative, this book wants to satisfy readers with both direct and lateral interest in the discipline.
It will show equations, but also concepts. The uninterested reader can skip the equations and pick only
the final concrete message, hopefully with unaltered results. Although the lack of mathematical formalism
will introduce more difficulty in understanding future concepts, it should not preclude people with
lateral interest in the discipline to understand the fundamental points.

With the proliferation of sub-fields in the application of theoretical chemistry and the explosion
of applications in various scientific fields, it is difficult these days for us to keep up with all the new
research developments in these cross-disciplinary fields. This book will serve as a major single source
of information on the latest research that can be broadly defined to be in the general area of theoretical
and computational chemistry. This book includes original contributions on broad aspects: from both
the development of fundamental theoretical methodology and computational algorithm, to extensive
numerical applications, specific scientific problems ranging from gas-phase to condensed phase, and
biological systems. It covers general research areas broadly defined as quantum chemistry, chemical
dynamics, statistical mechanics, and chemical biology.

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Ketersediaan

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Informasi Detail

Judul Seri

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No. Panggil

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Penerbit

New York : IGI Global.., 2013

Deskripsi Fisik

QD39.3.E46M465 - 542’.85--dc23

Bahasa

English

ISBN/ISSN

978-1-4666-4011-5

Klasifikasi

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Tipe Isi

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Tipe Media

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Tipe Pembawa

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Edisi

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Subjek

TEKNIK KIMIA

Info Detail Spesifik

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Pernyataan Tanggungjawab

agus

Versi lain/terkait

Lampiran Berkas

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