Deep investigation on Computational Chemistry

Image

Computational quantum chemistry is primarily concerned with the numerical computation of molecular electronic structures by ab initio and semi-empirical techniques and non-computational quantum chemistry deals with the formulation of analytical expressions for the properties of molecules and their reactions. The calculations are based primarily on Schroedinger's equation and include calculation of electron and charge distributions, molecular geometry in ground and excited states, potential energy surfaces, rate constants for elementary reactions, details of the dynamics of molecular collisions. The Journal of Chemistry and Applied Chemical Engineering invites you to the forum by submitting your investigation report about the computational chemistry and it’s related topics for making the world aware of the recent research underwent on diversified topics related to the Computational Chemistry. Your valuable manuscripts of any scientific form as research article or review or a case study or a short communication, etc. can be shared at our editorial office through online or as an attachment to chemistry@peerjournal.org by on or before 20 December, 2019 for the rapid Publication process.