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Exploring Chemistry with Electronic Structure Methods (3rd Edition): The Ultimate Guide to Computational Chemistry

Computational chemistry transforms how we understand molecular interactions. At the center of this field is the landmark textbook, by James B. Foresman and Æleen Frisch. Published by Gaussian, Inc., this text serves as the definitive practical guide for running electronic structure calculations.

: High-accuracy Hartree-Fock and Post-Hartree-Fock calculations.