1. Computational Chemistry Books

• Ab Initio Molecular Orbital Theory

Authors: W. J. Hehre, L. Radom, P. v.R. Schleyer, J. A. Pople


• Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Author: David Young


• Recent Advances in Quantum Monte Carlo Methods

Author: William A Lester Jr


• Introduction to Computational Chemistry

Author: Frank Jensen


• A Handbook of Computational Chemistry: A Practical Guide to Chemical Structure and Energy Calculations

Author: Tim Clark


• Compact Handbook of Computational Biology

Authors: Andrzej K Konopka M. James, C. Crabbe


• Computational Chemistry: Reviews of Current Trends

Author: Jerzy Leszczynski

2. Quantum Chemistry Books

• Introduction to the Theory and Applications of Molecular and Quantum Mechanics

Author: Errol G


• Modern Quantum Chemistry : Introduction to Advanced Electronic Structure Theory

Authors: Attila Szabo, Neil S. Ostlund