Beyond the Scope of Each Computational Chemistry
Due to recent advances in computational chemistry, not only computers and analysis programs in crystal structure analysis, but also TD-DFT calculations related to intramolecular electronic...
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Theoretical chemistry is a part of chemistry, which develops Theoretical chemistry that are part of the theoretical arsenal of current science, for example, the concept of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, molecule activation and so on. Quantum chemistry, Computational chemistry, Molecular modeling, Molecular dynamics, Molecular mechanics, Mathematical chemistry, Chemo informatics are the branches of Theoretical chemistry.
Modern theoretical chemistry may be roughly divided into the study of chemical structure and the study of chemical dynamics. The previous incorporates investigations 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.
Edelweiss Chemical Science Journal is an scholarly open access maintaining high standards of scientific excellence and its editorial board ensures rapid peer review process.
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Due to recent advances in computational chemistry, not only computers and analysis programs in crystal structure analysis, but also TD-DFT calculations related to intramolecular electronic...
