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Chapter 1: Computational Models & Model Chemistries . Chapter 3: Geometry Optimizations Chapter 4: Frequency Calculations. 4 Guess the geometry of transition state (TS). 3. Explore the PES along the reaction coordinates. Procedure. 1 Determine the ISBN 978-1-935522-03-4. J. B. Foresman and Æ. Frisch, Exploring Chemistry with Electronic Structure Methods, 3 ed., Gaussian, 2015 (ISBN 978-1-935522-0- rd. 4).1. New Chemistry with Gaussian 16 and GaussView 6 GaussView makes it easy to examine the results of one calculation and ISBN: 978-1-935522-03-4.

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