An experimental and theoretical study of dipole moments of N-[4-(9-acridinylamino)-3-methoxyphenyl]methanesulfonamide

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations

Electron Density, Chemical Thermodynamics, Engineering +13

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

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

Toward a systematic molecular orbital theory for excited states

James B. Foresman, Martin Head‐Gordon, John A. Pople et al. · The Journal of Physical Chemistry · 1992 · 2.4K citations

Localized Excited State, Engineering, Theoretical Inorganic Chemistry +17