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computational chemistry造句
1 Molecular simulation as a promising technology of computational chemistry has been rapidly developed in recent years. 2 Most of the calculations performed in computational chemistry rely on quantum mechanics. 3 Computational chemistry is currently one of the most exiting research fields. 4 Computational chemistry is playing an increasingly important role in chemical, materials, and other related industries. 5 The computational software in the fields of computational chemistry and materials science, and the molecular force fields which have been employed in polymer systems, were presented. 6 Most methods in [ computational chemistry ] today start by calculating the MOs of the system. 7 Quantum chemistry methods and molecular modeling technology are the main branches of the computational chemistry. 8 Kinetics This is an integrated experiment comprising topics from inorganic, organic, analytical, physical, and computational chemistry.