A modified hamiltonian method for the study of multiple site reactivity: comparison with perturbation results

Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O

Keiji Morokuma · The Journal of Chemical Physics · 1971 · 1.9K citations

Natural Sciences, Chemistry, Physics +15

Optimized Gaussian Basis SCF Wavefunctions for First-Row Atoms

Donald R. Whitman, C. J. Hornback · The Journal of Chemical Physics · 1969 · 146 citations

Natural Sciences, Chemistry, Physics +14

Analytical calculation of atomic and molecular electrostatic potentials from the Poisson equation

Shalom Srebrenik, Harel Weinstein, R. Pauncz · Chemical Physics Letters · 1973 · 86 citations

Natural Sciences, Chemistry, Physics +16

Theoretical treatment of multiple site reactivity in large molecules

Rodney J. Bartlett, Harel Weinstein · Chemical Physics Letters · 1975 · 45 citations

Natural Sciences, Chemistry, Computational Chemistry +11

An intermolecular perturbation approach to the cycloaddition of carbenes toward olefins. Reaction Path and Stereoselectivity

Takayuki Fueno, Shigeru Nagase, Kazuyuki Tatsumi et al. · Theoretical Chemistry Accounts · 1972 · 39 citations

Natural Sciences, Chemistry, Organic Chemistry +4