Journal of Biochemistry Research

Theoretical Chemistry Online Journals

Theoretical chemistry unites principles and ideas common to all or any branches of chemistry. The theoretical chemistry is occupied by the doctrine of the interconnection of the structure and properties of the molecular. It also used in mathematical and physical methods to elucidate structures and dynamics of chemical, understand, and predict their thermodynamic and kinetic properties. It explanation of chemical phenomena by methods of theoretical physics. The former includes studies of: electronic structure, potential energy surfaces, and force fields; vibrational-rotational motion; equilibrium properties of condensed-phase systems and macro-molecules. Chemical dynamics includes: bimolecular kinetics and the collision theory of reactions and energy transfer; unimolecular rate theory and metastable states; condensed-phase and macromolecular aspects of dynamics. Spectroscopic and magnetic properties are between the most frequently modeled. Modern theoretical chemistry could also be roughly divided into the study of chemical structure and therefore the study of chemical dynamics. The previous includes studies of: electronic structure, P.E. surfaces, and force fields; vibrational-rotational motion; equilibrium properties of condensed-phase systems and macro-molecules. Chemical dynamics includes: bimolecular kinetics and therefore the collision theory of reactions and energy transfer; unimolecular rate theory and metastable states; condensed-phase and macromolecular aspects of dynamics. The application of quantum physics or fundamental interactions to chemical and physico-chemical problems. Spectroscopic and magnetic properties are between the foremost frequently modelled. Modeling of the intra- and inter-molecular interaction P.E. surfaces via potentials. The latter are usually parameterized from initially calculations.

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