Synthesis, spectral and computational studies of some N-acyl-t(3)-isopropyl-r(2),c(6)-bis-2′-furylpiperidin-4-one oximes

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

A theoretical examination of the electronic structure and spectroscopy of the photosynthetic reaction center from Rhodopseudomonas viridis

M. A. Thompson, Michael C. Zerner · Journal of the American Chemical Society · 1991 · 308 citations

Life Sciences, Biochemistry, Chemistry +9

Excited States of the Bacteriochlorophyll b Dimer of Rhodopseudomonas viridis: A QM/MM Study of the Photosynthetic Reaction Center That Includes MM Polarization

M. A. Thompson, Gregory K. Schenter · The Journal of Physical Chemistry · 1995 · 299 citations

Life Sciences, Chemistry, Bacteriology +15

QM/MMpol:  A Consistent Model for Solute/Solvent Polarization. Application to the Aqueous Solvation and Spectroscopy of Formaldehyde, Acetaldehyde, and Acetone

M. A. Thompson · The Journal of Physical Chemistry · 1996 · 267 citations

Natural Sciences, Chemistry, Physics +17

The Nature of K+/Crown Ether Interactions: A Hybrid Quantum Mechanical-Molecular Mechanical Study

M. A. Thompson, Eric D. Glendening, David Feller · The Journal of Physical Chemistry · 1994 · 187 citations

Natural Sciences, Chemistry, Physics +13