- 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