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CONFORMATIONAL CONCEPT FOR SYNTHETIC CHEMIST’S USE
Belostotskii, Anatoly
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Últimas novedades
química general
química industrial
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This innovative book presents an original account of the principles of conformational theory. It has a strong focus on computational methodologies for conformational space exploration. By revisiting basic conformational conventions, considering experimental results which are often misinterpreted by organic chemists, and qualitatively analyzing the potential energy surface; the book helps nonexperts to understand molecular flexibility at a research level.
The book shows synthetic organic chemists how to perform successful conformational studies using widespread calculation packages or heuristic “functioning” material. In this way, the book actually offers to synthetic chemists a new research tool that can significantly upgrade their ability to predict, or at least explain, regioselectivity and stereoselectivity in their own reactions.
Contents:
Elementary Atomic Fragments and Molecular Geometry
Problems of Conformer Definitions
Computational vs. Experimental Conformational Analysis
An Organic Chemist-Friendly Guide to Computational Methods in Conformational Analysis
A Reliable Conformational Analysis: Calculated Chemical Shifts
Conformers and Reactivity
Readership: Organic and medicinal chemists, pharmacists and drug designers, and advanced graduate students.
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