• Computational Organic Chemistry
• Chemometrics: Statistics and Computer Application in Analytical Chemistry
• Computational Chemistry and Molecular Modeling
• Computational Chemistry of Solid State Materials
• Computational Chemistry: Reviews of Current Trends
• Computational Medicinal Chemistry for Drug Discovery
• Computational Methods in Lanthanide and Actinide Chemistry
• Computational Quantum Chemistry
• Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics
• Essentials of Computational Chemistry: Theories and Models
• Frontiers in Computational Chemistry: Computer Applications for Drug Design and Biomolecular Systems
• Introduction to Computational Chemistry
• Methods in Computational Chemistry
• Computers for Chemistry and Chemistry for Computers: From computational prediction of reaction selectivities to novel molecular wires for electrical devices
• Studies in Computational Quantum Chemistry
• Computational Materials Chemistry: Methods and Applications
• Practical Aspects of Computational Chemistry I
• Handbook of Computational Chemistry
• Computational Chemistry Methodology in Structural Biology and Materials Sciences
• Computational Pharmaceutical Solid State Chemistry
• Computational Studies in Organometallic Chemistry