Review on Guassion, the General Purpose in Computational Chemistry for Medicinal Chemistry

[...]the scientist john pople started his research group at the Carnegie Mellon University as guassian 70 then this continusly udtaed by them. the name of software originates from scientist pople's use of guassian orbitals to speed up the molecular electronics structure calculation opposed to using slater type of orbital then choice to 9 improve the the performace of the software on computating capacities of current computer hardware for hartee fock calculations. Guassian is capable of predicting many properties of molecules and reaction, including the following * Molecular energies and structures * Reaction pathway * NMR properties * Energies and structures of transition states * Bond and reaction energies * Vibrational frequecies * Molecular orbital * Atomic charges and electrostatic potential * Multiple moments Computation can be carried out on system in gas phase and in their ground state or in an excited state Guassuian input files: [...]a days structural based drug design is the growing, interative and powerful approaches includes the structural evaluation of target and drug discovery process it is time consuming and as well as cost cunsuming too developing ideas of new effects and potential drug lead molecule MOLECULAR DOCKING: Quantum chemical insight into molecular structure NBO anlysis of hydrogen bonded interaction spectroscopic drg likeness and molecular docking of novel anti covid 19 author for this is SJ. Guassian software is an computer program helped to chemists, chemical engineers, physicist, biochemist and other scientist to predicting many properties of molecules and reactions. such as energies molecular structures, spectroscopic data ie NMR IR UV etc.