Andrew Komornicki

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

Martin W. Feyereisen, George Fitzgerald, Andrew Komornicki · Chemical Physics Letters · 1993 · 1.3K citations

Numerical Analysis, Mp2 Energy Calculations, Numerical Computation +12

The intrinsic reaction coordinate. An <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> calculation for HNC→HCN and H−+CH4→CH4+H−

Kazuhiro Ishida, Keiji Morokuma, Andrew Komornicki · The Journal of Chemical Physics · 1977 · 863 citations

Engineering, Intrinsic Reaction Coordinate, Biochemistry +15

Structure of transition states in organic reactions. General theory and an application to the cyclobutene-butadiene isomerization using a semiempirical molecular orbital method

James McIver, Andrew Komornicki · Journal of the American Chemical Society · 1972 · 811 citations

Transition States, Engineering, Heterocyclic +15

Rapid geometry optimization for semi-empirical molecular orbital methods

James McIver, Andrew Komornicki · Chemical Physics Letters · 1971 · 343 citations

Engineering, Physics, Rapid Geometry Optimization +7

Efficient determination and characterization of transition states using ab-initio methods

Andrew Komornicki, Kazuhiro Ishida, Keiji Morokuma et al. · Chemical Physics Letters · 1977 · 253 citations

Transition States, Excited State Property, Engineering +8