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Theoretical Chemistry

Theoretical chemistry unites principles and ideas commonplace to all branches of chemistry. Within the framework of theoretical chemistry, there's a systematization of chemical laws, concepts and regulations, their refinement and detailing, the construction of a hierarchy. The imperative vicinity in theoretical chemistry is occupied by using the doctrine of the interconnection of the structure and residences of molecular structures. It makes use of mathematical and physical strategies to explain the systems and dynamics of chemical structures and to correlate, apprehend, and expect their thermodynamic and kinetic residences. In the maximum standard feel, it's far rationalization of chemical phenomena by way of strategies of theoretical physics. In comparison to theoretical physics, in reference to the excessive complexity of chemical structures, theoretical chemistry, similarly to approximate mathematical methods, frequently uses semi-empirical and empirical techniques. Modern theoretical chemistry may be roughly divided into the have a look at of chemical shape and the observe of chemical dynamics. The former consists of studies of: electronic shape, capacity energy surfaces, and pressure fields; vibrational-rotational movement; equilibrium homes of condensed-section systems and macro-molecules. Chemical dynamics includes: bimolecular kinetics and the collision concept of reactions and power transfer; unimolecular fee principle and metastable states; condensed-phase and macromolecular factors of dynamics.  

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Citations : 378

Analytical Chemistry: An Indian Journal received 378 citations as per Google Scholar report

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