Regarding the end of the 1900s, a small community of researchers in physics, computer science, mathematics and chemistry began to explore the fertile ground at the intersection of quantum mechanics with information theory, which led to a new and powerful paradigm of quantum computing. Quantum information processing promises to extend today's computing resources. Quantum computers, theoretically, could solve problems much more quickly than any classic computer. Intensive experimental efforts have been made to implement quantum computing since Shor and Grover developed their algorithms. In 1997, Nuclear Magnetic Resonance (NMR) emerged as one of the most promising experimental techniques for the implementation of quantum computing protocols. The isolation of nuclear spins and consequent long relaxation times, combined with the perfect dynamics implemented by radiofrequency pulses, led to important studies in the area. Therefore, nuclear spins are picked out as good candidates for quantum bits. In this scenario, quantum chemistry covers a vast field of quantum information science and can lead to advances in scientific research.