Here is the listing of Best reference books on Computational Chemistry.
|1. “Computer Simulation of Liquids” by M. P. Allen and D. J. Tildesley|
|2. “Understanding Molecular Simulations: From Algorithms to Applications” by D. Frenkel and B. Smit|
|3. “Quantum Chemistry” by Donald A. McQuarrie|
Sanfoundry Global Education & Learning Series – Best Reference Books!