Abstract:In
molecular design techniques, thermodynamic properties are predicted through
computational tools. Besides, the simple prediction methods explain the space of
molecular design while quantum mechanics can accurately predict the properties without
any kind of experimental data; however, it is a bit challenging. Therefore, in this
chapter, the significant advancement, demurrers in progression, and the future perspective
in designing the chemical compounds via using “computer-aided molecular design”
(CAMD) tools … Show more
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