Methods for molecular mechanics modeling of coordination compounds

Atomic charges derived from semiempirical methods

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

Natural Sciences, Chemistry, Physics +12

Inorganic stereochemistry

R. J. Gillespie, R. S. Nyholm · Quarterly Reviews Chemical Society · 1957 · 813 citations

Natural Sciences, Chemistry, Inorganic Chemistry +1

The Relation Between the Internuclear Distances and Force Constants of Molecules and Its Application to Polyatomic Molecules

Richard M. Badger · The Journal of Chemical Physics · 1935 · 699 citations

Natural Sciences, Chemistry, Physics +12

Force field design for metalloproteins

Stephen C. Hoops, Kenneth W. Anderson, Kenneth M. Merz · Journal of the American Chemical Society · 1991 · 276 citations

Pharmacy, Chemistry, Drug Design +8

A molecular-mechanics study of 18-crown-6 and its alkali complexes: an analysis of structural flexibility, ligand specificity, and the macrocyclic effect

Georges Wipff, Paul K. Weiner, Peter A. Kollman · Journal of the American Chemical Society · 1982 · 271 citations

Natural Sciences, Chemistry, Molecular Biophysics +8