Molecular Physical Chemistry: A Computer-based Approach using Mathematica® and Gaussian by José J. C. Teixeira-Dias
English | 1 Feb. 2017 | ISBN: 331941092X | 472 Pages | PDF | 24.96 MB
This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases.