MNDO calculations of systems containing hydrogen bonds

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

Natural Sciences, Chemistry, Computational Chemistry +5

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

John A. Pople, Gerald A. Segal · The Journal of Chemical Physics · 1966 · 1.9K citations

Natural Sciences, Chemistry, Physics +15

Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO method

Richard C. Bingham, Michael J. S. Dewar, Donald H. Lo · Journal of the American Chemical Society · 1975 · 1.6K citations

Natural Sciences, Chemistry, Physics +10

Solvation of the hydrogen ion by water molecules in the gas phase. Heats and entropies of solvation of individual reactions. H+(H2O)n-1 + H2O .fwdarw. H+(H2O)n

P. Kebarle, Sharon K. Searles, A. Zolla et al. · Journal of the American Chemical Society · 1967 · 357 citations

Natural Sciences, Chemistry, Atmospheric Thermodynamics +11

Intermolecular Interactions: From Diatomics to Biopolymers

J.W · Advances in Molecular Relaxation and Interaction Processes · 1978 · 278 citations

Natural Sciences, Biophysics, Chemistry +12