Introduction to Computational Chemistry

出版者:John Wiley & Sons Inc

作者:Jensen, Frank

页数:624

出版时间:2006-12

价格:888.00 元

装帧:HRD

isbn号码:9780470011867

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.