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The Basics of Theoretical and Computational Chemistry (Hardcover)
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The Basics of Theoretical and Computational Chemistry (Hardcover)
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This textbook does away with the classic, unimaginative approach
and comes straight to the point with a bare minimum of mathematics
-- emphasizing the understanding of concepts rather than presenting
endless strings of formulae. It nonetheless covers all important
aspects of computational chemistry, such as
- vector space theory
- quantum mechanics
- approximation methods
- theoretical models
- and computational methods.
Throughout the chapters, mathematics are differentiated by
necessity for understanding - fundamental formulae, and all the
others. All formulae are explained step by step without omission,
but the non-vital ones are marked and can be skipped by those who
do not relish complex mathematics.
The reader will find the text a lucid and innovative introduction
to theoretical and computational chemistry, with food for thought
given at the end of each chapter in the shape of several questions
that help develop understanding of the concepts.
What the reader will not find in this book are condescending
sentences such as, 'From (formula A) and (formula M) it is obvious
that (formula Z).'
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