Computational Chemistry

Unlock the power of Gaussian for computational chemistry simulations in solving problem—designed for complete beginners

Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends gathers the discussion of advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to success of which all authors contributed.

Introduction to Computational Chemistry Frank Jensen Odense University, Denmark Computational chemistry is a rapidly emerging and developing area, combining theoretical models with computers to investigate a variety of chemical phenomena.

Editors: Leszczynski, Jerzy, Shukla, Manoj K. (Eds.)
Contains contributions from researchers working in Computational Chemistry and Material Science research
Provides up to date information on topical areas of current interest
Spans several fields from molecular systems to bulk structures

Ab initio methods, Density Functional Theory methods