Quantum-chemical calculations of the hydration energies of organic cations and anions in the framework of a continuum solvent approximation

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

Engineering, Altmetric Attention Score, Molecular Biology +18

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.8K citations

Direct Utilizaion, Solvent Effects, Physics +8

Optimization of parameters for semiempirical methods I. Method

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 7.6K citations

Numerical Analysis, Adjustable Parameters, Engineering +10

Ground states of molecules. 38. The MNDO method. Approximations and parameters

Michael J. S. Dewar, Walter Thiel · Journal of the American Chemical Society · 1977 · 5.1K citations

Mndo Method, Engineering, Chemical Analysis +21

Atomic charges derived from semiempirical methods

Brent Besler, Kenneth M. Merz, Peter A. Kollman · Journal of Computational Chemistry · 1990 · 3.3K citations

Materials Science, Engineering, Physics +14