Relative binding orientations of adenosine A1 receptor ligands — A test case for Distributed Multipole Analysis in medicinal chemistry

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

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

J. Stephen Binkley, John A. Pople, Warren J. Hehre · Journal of the American Chemical Society · 1980 · 3.8K citations

Engineering, Altmetric Attention Score, Organic Chemistry +16

Distributed multipole analysis, or how to describe a molecular charge distribution

Anthony J. Stone · Chemical Physics Letters · 1981 · 1.1K citations

Physics, Natural Sciences, Multipole Analysis +3

Distributed multipole analysis

Anthony J. Stone, M. Alderton · Molecular Physics · 1985 · 866 citations

Numerical Analysis, Electrical Engineering, Engineering +11

How similar is a molecule to another? An electron density measure of similarity between two molecular structures

Ramon Carbó‐Dorca, Luis Leyda, Mariano Arnau · International Journal of Quantum Chemistry · 1980 · 689 citations

Molecular Recognition, Electron Density Measure, Matching Measure +15