Computational organic chemistry
By: Steven M. Bachrach
Publisher: Wiley-Interscience
Published: 2007
Place of publication: Hoboken, N.J
Language: eng
Format: [electronic resource] /
Number of pages: 478
ISBN-13: 9780470148129
Subjects: Organic Chemistry; Organic; Mathematical models; SCIENCE; Chemistry; Mathematics
Description: & Quot;[This book] collects together, largely for the first time, a series of chapters dedicated to all the ways in which molecular modeling/computational chemistry can impact organic chemistry.".-Christopher J. Cramer, author of Essentials ofComputational Chemistry: Theories and Models. Computational Organic Chemistry provides a practical overview of the ways in which computational modeling methods and applications can be used in organic chemistry to predict the structure and reactivity of organic molecules. After a concise survey of computational methods, the book presents in-depth case.
Notes: Includes bibliographical references and index.

Description based on print version record.
Table of contents: title: Quantum mechanics for organic chemistry; title: Fundamentals of organic chemistry; title: Pericyclic reactions; title: Diradicals and carbenes; title: Organic reactions of anions; title: Solution-phase organic chemistry; title: Organic reaction dynamics.