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Autor:
James E. Szecsody, Chris J. Mcgrath, Rakesh Bajpai, Mohammad Qasim, John S. Furey, Herbert L. Fredrickson
Publikováno v:
Structural Chemistry. 15:493-499
Combining computer chemistry calculation with experimental verification is useful both in proving concepts and what is chemically possible. Computational predictions, using MOPAC quantum mechanical and classical force field mechanics, were used to in