Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries

Journal of Chemical Theory and Computation - Tập 6 Số 9 - Trang 2872-2887 - 2010
I. M. Alecu1, Jingjing Zheng1, Yan Zhao1, Donald G. Truhlar1
1Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431 and Commercial Print Engine Lab, HP Laboratories, Hewlett-Packard Company, Palo Alto, California 94304

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