Computational Chemistry and Molecular Simulation

by Joel R. Fried

The objective of this textbook is to develop the basics of computational chemistry and molecular simulation methods in a manner that is understandable by senior undergraduate students and by beginning graduate students in engineering and the physical and life sciences. From Bohr's studies of the atom to quantum wave mechanics, the book presents the significant historical events. Chapters also discuss the functional methods related to these developments...

• Format: Hardcover
• Language: English
• ISBN: 0471462446
• ISBN13: 9780471462446
• Release Date: June 2025
• Publisher: Wiley
• Length: 512 Pages