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Journal of the American Chemical Society· 1985Q1

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy, James J. P. Stewart

Short summary

The AM1 method is introduced as a new, general-purpose quantum mechanical molecular model that significantly improves upon the previous Austin 1 (AM1) model.

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Field: Physical and Theoretical Chemistry

Physical and Theoretical ChemistryChemistry