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Computational chemistry is a branch of
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chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids. It is necessary because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation ... Professor Egbert Meijer Eindhoven University of Technology (Netherlands) E.W. “Bert” Meijer is Distinguished University Professor and Professor of Organic
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References¶. E.J. Baerends, V. Branchadell and M. Sodupe, Atomic reference-energies for density functional calculations, Chemical Physics Letters 265,481 (1997) F.M ...
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