A comparison of high-level theoretical methods to predict the heats of formation of azo compounds

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 et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

Natural Sciences, Chemistry, Physics +10

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

Natural Sciences, Chemistry, Physics +12

Handbook of chemistry and physics

Journal of the Franklin Institute · 1930 · 11.7K citations

Natural Sciences, Chemistry, Physics +8

Lange's handbook of chemistry

Choice Reviews Online · 1992 · 7.2K citations · Full text

Natural Sciences, Biochemistry, Chemistry +10

Optimization of parameters for semiempirical methods II. Applications

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 3.7K citations

Natural Sciences, Chemistry, Computational Chemistry +9