num_pages: 599
description: Introduction to Computational Chemistry Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to the sophisticated. Although comprehensive in its coverage, this textbook focuses on calculating molecular structures and (relative) energies and less on molecular properties or dynamical aspects. No prior knowledge of concepts specific to computational chemistry are assumed, but the reader will need some understanding of introductory quantum mechanics, linear algebra, and vector, differential and integral calculus.
language: English
title: Introduction to Computational Chemistry
titlecomplete: Introduction to Computational Chemistry
genres: Textbooks, Chemistry, Physics, Science, Computer Science
ratings_count: 22
publisher: John Wiley &Sons